Bromine anion
- Formula: Br-
- Molecular weight: 79.905
- IUPAC Standard InChI:
- IUPAC Standard InChIKey:
CPELXLSAUQHCOX-UHFFFAOYSA-M
- CAS Registry Number: 24959-67-9
- Chemical structure:
This structure is also available as a 2d Mol file
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- Other data available:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry 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 | 39.075 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry 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. A general reaction search
form is
also available. Future versions of this site may rely on
reaction search pages in place of the enumerated reaction
displays seen below.
Reactions 1 to 50
(
) +
= (
2
)
By formula: (Br-
H2O) + H2O = (Br-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 12.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
rH° | 12.3 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
rH° | 12.3 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 18.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 22.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 5.4 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
rG° | 5.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
rG° | 5.7 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
(
2
) +
= (
3
)
By formula: (Br-
2H2O) + H2O = (Br-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
rH° | 11.5 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
rH° | 11.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 24.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 4.7 ± 1.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 4.1 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
rG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
rG° | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= (
)
By formula: Br- + H2O = (Br-
H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
rH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 12.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
rH° | 12.7 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 14.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 18.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
rS° | 19.8 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 7.30 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 7.0 ± 2.8 | kcal/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
rG° | 7.0 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
+
= (
)
By formula: Br- + C7H6O2 = (Br-
C7H6O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 25.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
rS° | 23. | cal/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 |
rG° | 16.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
15.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
16.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C2H3N = (Br-
C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.3 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rH° | 12.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
rH° | 12.90 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 12.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
rH° | 12.9 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 12.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 16.5 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.70 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rG° | 8.8 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
rG° | 9.20 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 8.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
+
= (
)
By formula: Br- + C7H5F3 = (Br-
C7H5F3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
rH° | 25.7 | kcal/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 |
rS° | 23. | cal/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 |
rG° | 4.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
16.0 | 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)
Free energy of reaction
+
= (
)
By formula: Br- + HBr = (Br-
HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.6 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
rH° | 17.5 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
rS° | 22. | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 13.9 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
9.4 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M |
(
3
) +
= (
4
)
By formula: (Br-
3H2O) + H2O = (Br-
4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
rH° | 10.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 26.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 26.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 3.10 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 2.90 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
rG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= 
By formula: Br- + H+ = HBr
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 323.540 ± 0.050 | kcal/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
rH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
rH° | 320.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; «DELTA»S(acid)=19.2; «DELTA»S(EA)=6.4; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 318.30 ± 0.15 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
rG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
rG° | 315.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; «DELTA»S(acid)=19.2; «DELTA»S(EA)=6.4; B |
+
= (
)
By formula: Br- + C7H7NO2 = (Br-
C7H7NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 15.5 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H7NO2 = (Br-
C7H7NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 16.2 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.8 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H3F3N2O4 = (Br-
C7H3F3N2O4)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 19.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/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 |
rG° | 10.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
10.4 | 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 |
rH° | 21.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/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 |
rG° | 12.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
12.2 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C8H3F6NO2 = (Br-
C8H3F6NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/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 |
rG° | 8.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
8.2 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C7H8O = (Br-
C7H8O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 3.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H5Cl = (Br-
C6H5Cl)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C8H11N = (Br-
C8H11N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.7 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 3.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H5F = (Br-
C6H5F)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 10.6 ± 1.6 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H8 = (Br-
C7H8)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 8.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 0.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H5Cl3 = (Br-
C7H5Cl3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 3.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C8H8O = (Br-
C8H8O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 5.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
(
3
) +
= (
4
)
By formula: (Br-
3C2H3N) + C2H3N = (Br-
4C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 8.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 8.50 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
rH° | 5.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 10.9 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.8 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 2.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
+
= (
)
By formula: Br- + C6H5NO3 = (Br-
C6H5NO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 28.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 18.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
18.7 | 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 |
rH° | 25.2 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 15.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
15.5 | 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 |
rH° | 24.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 14.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
14.7 | 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 |
rH° | 24.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 14.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
14.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C6H4FNO2 = (Br-
C6H4FNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + CF3C6H4OH = (Br-
CF3C6H4OH)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 26.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 16.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
16.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C6H4N2O4 = (Br-
C6H4N2O4)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 21.0 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H5NO3 = (Br-
C6H5NO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 27.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 17.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
17.7 | 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 |
rH° | 27.0 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 17.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
17.3 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C7H4N2O2 = (Br-
C7H4N2O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.9 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H4N2O2 = (Br-
C7H4N2O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.5 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H5NO = (Br-
C7H5NO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 27.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 18.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
18.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C6HF5O = (Br-
C6HF5O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 25.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 15.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
15.9 | 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 |
rH° | 27.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 23. | cal/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 |
rG° | 17.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
17.7 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M |
+
= (
)
By formula: Br- + C6H4ClNO2 = (Br-
C6H4ClNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 16.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4N2O4 = (Br-
C6H4N2O4)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 18.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4ClNO2 = (Br-
C6H4ClNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.5 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4FNO2 = (Br-
C6H4FNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 15.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H4F3NO2 = (Br-
C7H4F3NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 19.2 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.8 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H4F3NO2 = (Br-
C7H4F3NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 16.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 7.0 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4FNO2 = (Br-
C6H4FNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.3 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 7.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H5NO3 = (Br-
C7H5NO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 18.5 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H4N2O2 = (Br-
C7H4N2O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 18.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H5NO3 = (Br-
C7H5NO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 19.7 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4N2O4 = (Br-
C6H4N2O4)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.3 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H4ClNO2 = (Br-
C6H4ClNO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 7.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H7NO2 = (Br-
C7H7NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 15.9 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B |
Free energy of reaction
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar |
Entropy of gas at standard conditions (1 bar) |
T |
Temperature |
rG° |
Free energy of reaction at standard conditions |
rH° |
Enthalpy of reaction at standard conditions |
rS° |
Entropy of reaction at standard conditions |
- Data from NIST Standard Reference Database 69:
NIST Chemistry WebBook
-
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