Bromine anion
- Formula: Br-
- Molecular weight: 79.905
- IUPAC Standard InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-M
- CAS Registry Number: 24959-67-9
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 185
- Options:
Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas,1 bar | 163.49 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1353.69 ± 0.21 | kJ/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1 |
ΔrH° | 1353. ± 8.8 | kJ/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
ΔrH° | 1341.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1331.8 ± 0.63 | kJ/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1 |
ΔrG° | 1331. ± 8.4 | kJ/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
ΔrG° | 1319.6 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + Ar = (Br- • Ar)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.3 | kJ/mol | Ther | Zhao, Yourshaw, et al., 1994 | gas phase; B |
ΔrH° | 5.86 | kJ/mol | Mobl | Gatland, 1984 | gas phase; B,M |
+ = Br3Se-
By formula: Br- + Br2Se = Br3Se-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 110. ± 5.9 | kJ/mol | CIDT | Lobring, Hao, et al., 2003 | gas phase; B |
By formula: Br- + Br2 = (Br- • Br2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127. ± 7.1 | kJ/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 141.0 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 94.14 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
+ = Br4P-
By formula: Br- + Br3P = Br4P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 ± 5.9 | kJ/mol | CIDT | Heil, Check, et al., 2002 | gas phase; B |
+ = CBr2F3-
By formula: Br- + CBrF3 = CBr2F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.16 ± 0.84 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
By formula: Br- + CHCl3 = (Br- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.11 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
By formula: Br- + CHN = (Br- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
ΔrH° | 66.9 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984 | gas phase; Extrapolated from other halide data; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.8 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 56.5 ± 6.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • CHN) + CHN = (Br- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 2CHN) + CHN = (Br- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.6 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.6 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.4 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 3CHN) + CHN = (Br- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.9 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 4CHN) + CHN = (Br- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.9 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
+ = CH2BrO2-
By formula: Br- + CH2O2 = CH2BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.0 ± 7.1 | kJ/mol | CIDT | Walker and Sunderlin, 1999 | gas phase; B |
By formula: Br- + CH3Br = (Br- • CH3Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 38.5 ± 2.1 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 58.6 | J/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 20.9 ± 3.3 | kJ/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
By formula: Br- + CH3Cl = (Br- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.6 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.3 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+ = CH3BrNO2-
By formula: Br- + CH3NO2 = CH3BrNO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 40. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: Br- + CH4O = (Br- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.67 ± 0.42 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 58.2 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 73.6 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.5 ± 0.42 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 36. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
ΔrG° | 35. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: (Br- • CH4O) + CH4O = (Br- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.21 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 52.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.6 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 26. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 2CH4O) + CH4O = (Br- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 2.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 44.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.4 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 18. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 3CH4O) + CH4O = (Br- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 4CH4O) + CH4O = (Br- • 5CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 5CH4O) + CH4O = (Br- • 6CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 6CH4O) + CH4O = (Br- • 7CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.1 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 7CH4O) + CH4O = (Br- • 8CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 8CH4O) + CH4O = (Br- • 9CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
By formula: (Br- • 9CH4O) + CH4O = (Br- • 10CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
+ = CH4Br-
By formula: Br- + CH4 = CH4Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -9.50 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: Br- + CO2 = (Br- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 28. ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.0 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (Br- • CO2) + CO2 = (Br- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 25. ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.5 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1. ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (Br- • 2CO2) + CO2 = (Br- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 3CO2) + CO2 = (Br- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 4CO2) + CO2 = (Br- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 5CO2) + CO2 = (Br- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 6CO2) + CO2 = (Br- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 7CO2) + CO2 = (Br- • 8CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 8CO2) + CO2 = (Br- • 9CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.5 ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 9CO2) + CO2 = (Br- • 10CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.5 ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 10CO2) + CO2 = (Br- • 11CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2. ± 8.4 | kJ/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: Br- + CS2 = (Br- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 54.4 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (Br- • CS2) + CS2 = (Br- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
+ = C2BrF4-
By formula: Br- + C2F4 = C2BrF4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
+ = C2H2Br-
By formula: Br- + C2H2 = C2H2Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.0 | kJ/mol | LPES | Wild, Milley, et al., 2000 | gas phase; Given: 8.635±0.009 kcal/mol(0 K); B |
By formula: Br- + C2H3N = (Br- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.8 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 50.6 ± 1.7 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 54.0 ± 1.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 54.0 ± 8.4 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
ΔrH° | 54.0 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 51.0 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 69.0 | J/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36.4 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 37. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
ΔrG° | 38.5 ± 2.9 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 33. ± 8.4 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • C2H3N) + C2H3N = (Br- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 ± 1.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 48.1 ± 2.9 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 49.37 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71.1 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 85.4 | J/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28. ± 5.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 24.3 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 2C2H3N) + C2H3N = (Br- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.5 ± 1.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 43.5 ± 2.9 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 41.84 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.9 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 90.8 | J/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. ± 5.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 15.1 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 3C2H3N) + C2H3N = (Br- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.4 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 35.6 ± 3.3 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 23.0 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.0 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 45.6 | J/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12. ± 5.0 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 9.20 | kJ/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 4C2H3N) + C2H3N = (Br- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.6 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 24.3 ± 3.8 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 5.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5C2H3N) + C2H3N = (Br- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.5 ± 0.84 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 23. ± 4.2 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 ± 3.8 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 6C2H3N) + C2H3N = (Br- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13. ± 4.6 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3. ± 5.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 7C2H3N) + C2H3N = (Br- • 8C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 5.0 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 8C2H3N) + C2H3N = (Br- • 9C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 5.9 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 9C2H3N) + C2H3N = (Br- • 10C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 6.3 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 10C2H3N) + C2H3N = (Br- • 11C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.0 ± 6.7 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 11C2H3N) + C2H3N = (Br- • 12C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.0 ± 7.1 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 12C2H3N) + C2H3N = (Br- • 13C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2. ± 7.5 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 13C2H3N) + C2H3N = (Br- • 14C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3. ± 7.9 | kJ/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: Br- + C2H5Br = (Br- • C2H5Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 48.53 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 80.3 | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.7 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 24.7 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C2H5Cl = (Br- • C2H5Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.4 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: Br- + C2H6OS = (Br- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.38 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
ΔrH° | 72.0 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.5 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.61 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
By formula: (Br- • C2H6OS) + C2H6OS = (Br- • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.7 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Br- • 2C2H6OS) + C2H6OS = (Br- • 3C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
+ = C2H6BrO-
By formula: Br- + C2H6O = C2H6BrO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.99 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 37. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
+ 2 = C4H12BrO2-
By formula: Br- + 2C2H6O = C4H12BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.1 ± 2.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 3 = C6H18BrO3-
By formula: Br- + 3C2H6O = C6H18BrO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 1.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ = C3BrF6-
By formula: Br- + C3F6 = C3BrF6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.4 ± 1.3 | kJ/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.7 ± 1.3 | kJ/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: Br- + C3H7Br = (Br- • C3H7Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 51.04 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.3 | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.4 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 26.4 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C3H7Br = (Br- • C3H7Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.53 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.8 | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.8 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C3H7Cl = (Br- • C3H7Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.9 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.2 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: Br- + C3H7Cl = (Br- • C3H7Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.9 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+ = C3H8BrO-
By formula: Br- + C3H8O = C3H8BrO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.25 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 38. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
+ 2 = C6H16BrO2-
By formula: Br- + 2C3H8O = C6H16BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.46 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
By formula: Br- + C4H9Br = (Br- • C4H9Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.97 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.8 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C4H9Br = (Br- • C4H9Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 51.88 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 80.8 | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 28.0 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C4H9Cl = (Br- • C4H9Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.6 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+ = C4H10BrO-
By formula: Br- + C4H10O = C4H10BrO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.11 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 2 = C8H20BrO2-
By formula: Br- + 2C4H10O = C8H20BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.0 ± 1.7 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.6 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 3 = C12H30BrO3-
By formula: Br- + 3C4H10O = C12H30BrO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 2.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ = C5BrF8-
By formula: Br- + C5F8 = C5BrF8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.1 ± 1.3 | kJ/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29.5 ± 1.3 | kJ/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
By formula: Br- + C5H11Br = (Br- • C5H11Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.25 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28.9 | kJ/mol | TDAs | Dougherty, 1974 | gas phase; B |
By formula: Br- + C6F6 = (Br- • C6F6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 81.2 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 6.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B |
By formula: (Br- • C6F6) + C6F6 = (Br- • 2C6F6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
By formula: Br- + C6HF5O = (Br- • C6HF5O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 107. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 66.5 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
66.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C6H3N3O6 = (Br- • C6H3N3O6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.8 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54.8 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M |
By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.5 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.2 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
27. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.6 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
45.6 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.8 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.5 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.5 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5ClO = (Br- • C6H5ClO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88.7 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.1 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5ClO = (Br- • C6H5ClO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 102. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 61.5 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C6H5ClO = (Br- • C6H5ClO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 101. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 60.2 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.2 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C6H5Cl = (Br- • C6H5Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5FO = (Br- • C6H5FO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.9 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
46.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5FO = (Br- • C6H5FO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.5 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 56.9 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5FO = (Br- • C6H5FO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 57.3 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
57.3 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5F = (Br- • C6H5F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.4 ± 6.7 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5NO = (Br- • C6H5NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.3 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
By formula: Br- + C6H5NO2 = (Br- • C6H5NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 ± 7.5 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27. ± 4.2 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
27. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H5NO3 = (Br- • C6H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 119. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 78.2 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
78.2 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C6H5NO3 = (Br- • C6H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 115. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 74.1 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
74.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C6H6O = (Br- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.0 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
ΔrH° | 82.0 | kJ/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
46.4 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
46.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H6 = (Br- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71.1 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
ΔrS° | 71. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; B |
ΔrG° | 16. ± 11. | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H7NO = (Br- • C6H7NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41. | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H7NO = (Br- • C6H7NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C6H7N = (Br- • C6H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H3F3N2O4 = (Br- • C7H3F3N2O4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.8 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.5 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.5 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M |
By formula: Br- + C7H3N3O4 = (Br- • C7H3N3O4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 51.0 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
51.0 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M |
By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 ± 7.5 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Paul and Kebarle, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 4.2 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B |
By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80.3 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
29. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.1 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.1 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 85.8 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
46.4 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.8 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H5Cl3 = (Br- • C7H5Cl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H5F3O = (Br- • C7H5F3O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
ΔrH° | 52.7 | kJ/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 66.9 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + CF3C6H4OH = (Br- • CF3C6H4OH)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 70.7 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
70.7 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5F3O = (Br- • C7H5F3O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 101. | kJ/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.2 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5F3 = (Br- • C7H5F3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
ΔrH° | 108. | kJ/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
66.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5NO = (Br- • C7H5NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 72.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
72.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5NO = (Br- • C7H5NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 116. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 75.7 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
75.7 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5NO = (Br- • C7H5NO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 115. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 74.1 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
74.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H5NO3 = (Br- • C7H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.1 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.1 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H5NO3 = (Br- • C7H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H5N = (Br- • C7H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.5 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H6O = (Br- • C7H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 | kJ/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H6O2 = (Br- • C7H6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.6 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H6O2 = (Br- • C7H6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 105. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 64.9 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
64.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H6O2 = (Br- • C7H6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 67.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
64.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
67.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.5 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67.8 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 86.2 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.6 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
45.6 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
14. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 86.2 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.6 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
45.6 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O2 = (Br- • C7H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.5 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 51.9 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
51.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8O2 = (Br- • C7H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.9 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 47.3 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
47.3 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C7H8 = (Br- • C7H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.4 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C8H3F6NO2 = (Br- • C8H3F6NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M |
By formula: Br- + C8H8O = (Br- • C8H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + C8H8O2 = (Br- • C8H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 105. ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 64.4 ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
By formula: Br- + C8H11N = (Br- • C8H11N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (Br- • 4294967295Cs) + Cs = Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 124.7 ± 4.0 | kJ/mol | N/A | Miller, Leopold, et al., 1986 | gas phase; Extrapolated by polarizability and radius from experimental data.; B |
By formula: Br- + HBr = (Br- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 86.2 ± 8.4 | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 73.2 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 92. | J/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 58. ± 11. | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39. | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
By formula: (Br- • HBr) + HBr = (Br- • 2HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.0 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71.1 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • HBr) + O2S = (Br- • O2S • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.6 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.1 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: Br- + HCl = (Br- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.0 ± 8.4 | kJ/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54. ± 11. | kJ/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: (Br- • HCl) + HCl = (Br- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.0 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
By formula: (Br- • HCl) + O2S = (Br- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.8 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: Br- + HF = (Br- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984 | gas phase; Extrapolated from other bihalide data; B |
ΔrH° | 71.1 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
By formula: Br- + HNO3 = (Br- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.7 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.1 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.7 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.4 | kJ/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
By formula: Br- + H2O = (Br- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.14 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 49.0 ± 1.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 52.72 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
ΔrH° | 53.1 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 61.5 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 77.0 | J/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
ΔrS° | 82.8 | J/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 ± 3.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 29. ± 12. | kJ/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
ΔrG° | 29. ± 8.4 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (Br- • H2O) + H2O = (Br- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 51.04 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 51.5 ± 4.2 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 51.5 ± 4.2 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 75.3 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 95.8 | J/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 23. ± 5.9 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 22.6 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 24. ± 8.4 | kJ/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 28.9 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 48.1 ± 4.2 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 48.1 ± 4.2 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 104. | J/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20. ± 4.6 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 17. ± 5.9 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 17.2 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 18. ± 8.4 | kJ/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.02 ± 0.84 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 26. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 45.6 ± 4.2 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 112. | J/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.9 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 12.1 | kJ/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 14. ± 8.4 | kJ/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 4H2O) + H2O = (Br- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 26. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 119. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 5.0 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5H2O) + H2O = (Br- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.1 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 25. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 118. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 8.8 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 6H2O) + H2O = (Br- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.84 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 10. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.44 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: (Br- • 7H2O) + H2O = (Br- • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 8H2O) + H2O = (Br- • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 9H2O) + H2O = (Br- • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 10H2O) + H2O = (Br- • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 11H2O) + H2O = (Br- • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 12H2O) + H2O = (Br- • 13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.5 ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 13H2O) + H2O = (Br- • 14H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 14H2O) + H2O = (Br- • 15H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 15H2O) + H2O = (Br- • 16H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: Br- + H3N = (Br- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 ± 0.42 | kJ/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.9 | J/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.37 ± 0.84 | kJ/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
By formula: Br- + Kr = (Br- • Kr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.42 | kJ/mol | LPES | Yourshaw, Lenzer, et al., 1998 | gas phase; given: 0.0795(.001) eV; B |
ΔrH° | <11.3 | kJ/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; B |
ΔrH° | 8.37 | kJ/mol | Mobl | Gatland, 1984 | gas phase; B,M |
By formula: Br- + N2O = (Br- • N2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. ± 1. | kJ/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 75.7 | J/mol*K | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
By formula: (Br- • N2O) + N2O = (Br- • 2N2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. ± 1. | kJ/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
By formula: (Br- • 2N2O) + N2O = (Br- • 3N2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. ± 1. | kJ/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
By formula: Br- + O2S = (Br- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80.8 ± 8.4 | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 53. ± 11. | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: (Br- • O2S) + HBr = (Br- • HBr • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 80.3 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 93.7 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.8 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
By formula: (Br- • O2S) + O2S = (Br- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.2 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • 2O2S) + O2S = (Br- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 57.7 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
+ = BrO3S-
By formula: Br- + O3S = BrO3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 179. ± 11. | kJ/mol | CIDT | Hao, Gilbert, et al., 2006 | gas phase; B |
By formula: (Br- • 4294967295Rb) + Rb = Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. ± 4.2 | kJ/mol | Ther | Miller, Leopold, et al., 1986 | gas phase; Extrapolated by polarizability and radius from experimental data.; B |
By formula: Br- + Xe = (Br- • Xe)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 ± 1.3 | kJ/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; B |
ΔrH° | 12.1 ± 0.42 | kJ/mol | LPES | Yourshaw, Lenzer, et al., 1998 | gas phase; Given: 0.12692(.0005) eV; B |
ΔrH° | 14.2 | kJ/mol | Mobl | Gatland, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -4.9 ± 1.3 | kJ/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R.,
High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams,
Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698
. [all data]
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G.,
Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase,
Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Zhao, Yourshaw, et al., 1994
Zhao, Y.X.; Yourshaw, I.; Reiser, G.; Arnold, C.C.; Neumark, D.M.,
Study of the ArBr(-), ArI(-), and KrI(-) anions and the corresponding neutral van der Waals complexes by anion zero electron kinetic energy,
J. Chem. Phys., 1994, 101, 8, 6538, https://doi.org/10.1063/1.468500
. [all data]
Gatland, 1984
Gatland, I.R.,
Determination of Ion-Atom Potentials from Mobility Experiments.
in Swarms of Ions and Electrons In Gases, W. Lindinger, Ed., Springer-Verlag, NY,, 1984, 44. [all data]
Lobring, Hao, et al., 2003
Lobring, K.C.; Hao, C.T.; Forbes, J.K.; Ivanov, M.R.J.; Bachrach, S.M.; Sunderlin, L.S.,
Bond strengths in ChCl(3)(-) and ChOCl(3)(-) (Ch = S, Se, Te): Experiment and theory,
J. Phys. Chem. A, 2003, 107, 50, 11153-11160, https://doi.org/10.1021/jp030388v
. [all data]
Nizzi, Pommerening, et al., 1998
Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S.,
Gas-phase thermochemistry of polyhalide anions,
J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508
. [all data]
Heil, Check, et al., 2002
Heil, T.E.; Check, C.E.; Lobring, K.C.; Sunderlin, L.S.,
The thermochemistry of phosphorus tetrahalide anions,
J. Phys. Chem. A, 2002, 106, 42, 10043-10048, https://doi.org/10.1021/jp021386y
. [all data]
Bogdanov and McMahon, 2006
Bogdanov, B.; McMahon, T.B.,
Gas phase S(N)2 reactions of halide ions with trifluoromethyl halides: Front- and back-side attack vs. complex formation,
J. Phys. Chem. A, 2006, 110, 4, 1350-1363, https://doi.org/10.1021/jp0541011
. [all data]
Giles and Grimsrud, 1993
Giles, K.; Grimsrud, E.P.,
Measurements of Equilibria and Reactivity of Cluster Ions at Atmospheric Pressure - Reactions of Cl-(CHCl3)0-2 with CH3Br and CH3I,
J. Phys. Chem., 1993, 97, 7, 1318, https://doi.org/10.1021/j100109a012
. [all data]
Meot-ner, Cybulski, et al., 1988
Meot-ner, M.; Cybulski, S.M.; Scheiner, S.; Liebman, J.F.,
Is CN- Significantly Anisotropic? Comparison of CN- vs. Cl-: Clustering with HCN and Condensed Phase Thermochemistry,
J. Phys. Chem., 1988, 92, 10, 2738, https://doi.org/10.1021/j100321a009
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN),
Inorg. Chem., 1984, 23, 2029. [all data]
Walker and Sunderlin, 1999
Walker, B.W.; Sunderlin, L.S.,
The thermochemistry of formic acid halide anion clusters,
Int. J. Mass Spectrom., 1999, 184, 2-3, 183-189, https://doi.org/10.1016/S1387-3806(99)00008-1
. [all data]
Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B.,
High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions.,
J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o
. [all data]
Dougherty and Roberts, 1974
Dougherty, R.C.; Roberts, J.D.,
SN2 reactions in the gas phase. Nucleophilicity effects,
Org. Mass Spectrom., 1974, 8, 81. [all data]
Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M.,
Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR,
J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p
. [all data]
Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y.,
Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN,
Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8
. [all data]
Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B.,
Stepwise solvation of halides by alcohol molecules in the gas phase,
Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5
. [all data]
Hiraoka and Yamabe, 1991
Hiraoka, K.; Yamabe, S.,
Solvation of Halide Ions with CH3OH in the gas Phase,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 133, https://doi.org/10.1016/0168-1176(91)85101-Q
. [all data]
Hiraoka, Mizuno, et al., 2001
Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S.,
Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes,
J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n
. [all data]
Arnold, Bradforth, et al., 1995
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M.,
Study of halogen carbon dioxide clusters and the fluoroformyloxyl radical by photodetachment of X(-)(CO2) (X=I,Cl,Br) and FCO2-,
J. Chem. Phys., 1995, 102, 9, 3493, https://doi.org/10.1063/1.468575
. [all data]
Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Stability and Structure of Cluster Ions: Halide Ions with CO2,
J. Chem. Phys., 1987, 87, 6, 3647, https://doi.org/10.1063/1.452962
. [all data]
Arnold, Bradforth, et al., 1995, 2
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M.,
Study of I-(CO2)n, Br-(CO2)n, and I-(N2O)n clusters by anion photoelectron spectroscopy,
J. Chem. Phys., 1995, 102, 9, 3510, https://doi.org/10.1063/1.468576
. [all data]
Hiraoka, Fujimaki, et al., 1993
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S.,
Bond Strengths of the Gas-Phase Cluster Ions X-(CS2)n (X = F, Cl, Br and I),
Chem. Phys. Lett., 1993, 208, 5-6, 491, https://doi.org/10.1016/0009-2614(93)87178-6
. [all data]
Hiraoka, Mochizuki, et al., 2008
Hiraoka, K.; Mochizuki, N.; Wada, A.; Okada, H.; Ichikawa, T.; Asakawa, D.; Yazawa, I.,
Gas-phase ion/molecule reactions in C2F4,
Int. J. Mass Spectrom., 2008, 272, 1, 22-28, https://doi.org/10.1016/j.ijms.2007.12.013
. [all data]
Curtiss, Raghavachari, et al., 7374
Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A.,
Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]
Wild, Milley, et al., 2000
Wild, D.A.; Milley, P.J.; Loh, Z.M.; Wolynec, P.P.; Weiser, P.S.; Bieske, E.J.,
Structural and Energetic Properties of the Br--C2H2 Anion Complex from Rotationally Resolved Mid-infrared Spectra And ab initio Calculations,
J. Chem. Phys., 2000, 113, 3, 1075, https://doi.org/10.1063/1.481919
. [all data]
Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O.,
The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations.,
J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131
. [all data]
Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Solvation of Halide Ions with H2O and CH3CN in the Gas Phase,
J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051
. [all data]
Yamdagni and Kebarle, 1972
Yamdagni, R.; Kebarle, P.,
Solvation of negative ions by protic and aprotic solvents. Gas phase solvation of halide ions by acetonitrile and water molecules,
J. Am. Chem. Soc., 1972, 94, 2940. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Dougherty, 1974
Dougherty, R.C.,
SN2 reactions in the gas phase. Alkyl group structural effects,
Org. Mass Spectrom., 1974, 8, 85. [all data]
Magnera, Caldwell, et al., 1984
Magnera, T.F.; Caldwell, G.; Sumner, J.; Ikuta, S.; Kebarle, P.,
Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents,
J. Am. Chem. Soc., 1984, 106, 6140. [all data]
Hiraoka, Takao, et al., 2002
Hiraoka, K.; Takao, K.; Lino, T.; Nakagawa, F.; Suyama, H.; Mizuno, T.; Yamabe, S.,
Gas-phase ion-molecule reactions in C3F6,
J. Phys. Chem. A, 2002, 106, 4, 603-611, https://doi.org/10.1021/jp0116306
. [all data]
Hiraoka, Fujita, et al., 1905
Hiraoka, K.; Fujita, K.; Ishida, M.; Ichikawa, T.; Okada, H.; Hiizumi, K.; Wada, A.; Takao, K.; Yamabe, S.; Tsuchida, N.,
Gas-phase Ion/Molecule Reactions in C5F8,
J. Phys. Chem. A (2005), 1905, 109, 6, 1049-1056., https://doi.org/10.1021/jp040251k
. [all data]
Hiraoka, Mizuse, et al., 1987, 2
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
High Symmetric Structure of the Gas Phase Ion Cluster X-..C6F6 (X = Cl, Br, I),
J. Phys. Chem., 1987, 91, 20, 5294, https://doi.org/10.1021/j100304a032
. [all data]
Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P.,
Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-),
Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316
. [all data]
Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P.,
Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-,
J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014
. [all data]
Hiraoka, Mizuse, et al., 1988, 2
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I),
Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4
. [all data]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P.,
The hydrogen bond energies of the bihalide ions XHX- and YHX-,
Can. J. Chem., 1985, 63, 1399. [all data]
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
Int. J. Chem. Kinet., 1977, 9, 17. [all data]
Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O.,
Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters,
J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965
. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N.,
Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer.,
J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J.,
Hydration of Negative Ions in the Gas Phase,
J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145
. [all data]
Evans, Keesee, et al., 1987
Evans, D.H.; Keesee, R.G.; Castleman Jr.,
The Association of Ammonia with Halide Ions in the Gas Phase,
J. Chem. Phys., 1987, 86, 5, 2927, https://doi.org/10.1063/1.452043
. [all data]
Yourshaw, Lenzer, et al., 1998
Yourshaw, I.; Lenzer, T.; Reiser, G.; Neumark, D.M.,
Zero electron kinetic energy spectroscopy of the KrBr-, XeBr-, and KrCl- anions,
J. Chem. Phys., 1998, 109, 13, 5247-5256, https://doi.org/10.1063/1.477141
. [all data]
Wada, Kikkawa, et al., 2007
Wada, A.; Kikkawa, A.; Sugiyama, T.; Hiraoka, K.,
Thermochemical Stabilities of the Gas-phase Cluster Ions of Halide Ions with Rare Gas Atoms,
Int. J. Mass Spectrom.., 2007, 267, 1-3, 284-287, https://doi.org/10.1016/j.ijms.2007.02.053
. [all data]
Hiraoka, Aruga, et al., 1993
Hiraoka, K.; Aruga, K.; Fujimaki, S.; Yamabe, S.,
Comparative Study of the Gas Phase Bond Strengths of CO2 and N2O with the Halide Ions,
J. Am. Soc. Mass Spectrom., 1993, 4, 1, 58, https://doi.org/10.1016/1044-0305(93)85043-W
. [all data]
Hao, Gilbert, et al., 2006
Hao, C.; Gilbert, T.M.; Sunderlin, L.S.,
The Bond Dissociation Energies of SO3-X- (X = F, Cl, Br, and I),
Can. J. Chem., 2006, 83, 11, 2013-2019, https://doi.org/10.1139/v05-216
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.