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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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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 | 39.075 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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.
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
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction 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
+
= 
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 |
rH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
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 |
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 |
rG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction 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)
+
= Br3Se-
By formula: Br- + Br2Se = Br3Se-
+
= (
)
By formula: Br- + Br2 = (Br-
Br2)
+
= Br4P-
By formula: Br- + Br3P = Br4P-
+
= CBr2F3-
By formula: Br- + CBrF3 = CBr2F3-
+
= (
)
By formula: Br- + CHCl3 = (Br-
CHCl3)
+
= (
)
By formula: Br- + CHN = (Br-
CHN)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 19.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
rH° | 16.0 ± 2.0 | kcal/mol | Est | Larson and McMahon, 1984 | gas phase; Extrapolated from other halide data; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.8 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 13.5 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
(
) +
= (
2
)
By formula: (Br-
CHN) + CHN = (Br-
2CHN)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 16.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.7 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
(
2
) +
= (
3
)
By formula: (Br-
2CHN) + CHN = (Br-
3CHN)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 21.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.30 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
(
3
) +
= (
4
)
By formula: (Br-
3CHN) + CHN = (Br-
4CHN)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 10.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.1 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 3.80 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
(
4
) +
= (
5
)
By formula: (Br-
4CHN) + CHN = (Br-
5CHN)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 8.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 18.5 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.60 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
+
= CH2BrO2-
By formula: Br- + CH2O2 = CH2BrO2-
+
= (
)
By formula: Br- + CH3Br = (Br-
CH3Br)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rH° | 9.20 ± 0.50 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 14.0 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 4.60 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rG° | 5.00 ± 0.80 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
+
= (
)
By formula: Br- + CH3Cl = (Br-
CH3Cl)
+
= CH3BrNO2-
By formula: Br- + CH3NO2 = CH3BrNO2-
+
= (
)
By formula: Br- + CH4O = (Br-
CH4O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.50 ± 0.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rH° | 13.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 17.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.00 ± 0.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rG° | 8.7 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
rG° | 8.4 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
(
) +
= (
2
)
By formula: (Br-
CH4O) + CH4O = (Br-
2CH4O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.00 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rH° | 12.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 5.62 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rG° | 6.3 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
(
2
) +
= (
3
)
By formula: (Br-
2CH4O) + CH4O = (Br-
3CH4O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 9.50 ± 0.50 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rH° | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 21.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 4.25 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rG° | 4.2 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
(
3
) +
= (
4
)
By formula: (Br-
3CH4O) + CH4O = (Br-
4CH4O)
(
4
) +
= (
5
)
By formula: (Br-
4CH4O) + CH4O = (Br-
5CH4O)
(
5
) +
= (
6
)
By formula: (Br-
5CH4O) + CH4O = (Br-
6CH4O)
(
6
) +
= (
7
)
By formula: (Br-
6CH4O) + CH4O = (Br-
7CH4O)
(
7
) +
= (
8
)
By formula: (Br-
7CH4O) + CH4O = (Br-
8CH4O)
(
8
) +
= (
9
)
By formula: (Br-
8CH4O) + CH4O = (Br-
9CH4O)
(
9
) +
= (
10
)
By formula: (Br-
9CH4O) + CH4O = (Br-
10CH4O)
+
= CH4Br-
By formula: Br- + CH4 = CH4Br-
+
= (
)
By formula: Br- + CO2 = (Br-
CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 5.3 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
rH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 16.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.8 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
(
) +
= (
2
)
By formula: (Br-
CO2) + CO2 = (Br-
2CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 5.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
rH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 0.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
(
2
) +
= (
3
)
By formula: (Br-
2CO2) + CO2 = (Br-
3CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 5.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
3
) +
= (
4
)
By formula: (Br-
3CO2) + CO2 = (Br-
4CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 5.2 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
4
) +
= (
5
)
By formula: (Br-
4CO2) + CO2 = (Br-
5CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 4.2 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
5
) +
= (
6
)
By formula: (Br-
5CO2) + CO2 = (Br-
6CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 4.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
6
) +
= (
7
)
By formula: (Br-
6CO2) + CO2 = (Br-
7CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
7
) +
= (
8
)
By formula: (Br-
7CO2) + CO2 = (Br-
8CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 3.7 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
8
) +
= (
9
)
By formula: (Br-
8CO2) + CO2 = (Br-
9CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.8 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
9
) +
= (
10
)
By formula: (Br-
9CO2) + CO2 = (Br-
10CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.8 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
(
10
) +
= (
11
)
By formula: (Br-
10CO2) + CO2 = (Br-
11CO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 0.5 ± 2.0 | kcal/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 |
rH° | 8.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 13.0 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
(
) +
= (
2
)
By formula: (Br-
CS2) + CS2 = (Br-
2CS2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
+
= C2BrF4-
By formula: Br- + C2F4 = C2BrF4-
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 7.10 ± 0.50 | kcal/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 |
rG° | 2.33 ± 0.50 | kcal/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-
+
= (
)
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 |
(
) +
= (
2
)
By formula: (Br-
C2H3N) + C2H3N = (Br-
2C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 11.50 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
rH° | 11.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 20.4 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.6 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 5.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
(
2
) +
= (
3
)
By formula: (Br-
2C2H3N) + C2H3N = (Br-
3C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 9.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 10.40 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
rH° | 10.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 16.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
rS° | 21.7 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 4.2 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
rG° | 3.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
(
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 |
(
4
) +
= (
5
)
By formula: (Br-
4C2H3N) + C2H3N = (Br-
5C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 8.50 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
(
5
) +
= (
6
)
By formula: (Br-
5C2H3N) + C2H3N = (Br-
6C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 8.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 5.5 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.20 ± 0.90 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
(
6
) +
= (
7
)
By formula: (Br-
6C2H3N) + C2H3N = (Br-
7C2H3N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 7.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 3.0 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 0.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
(
7
) +
= (
8
)
By formula: (Br-
7C2H3N) + C2H3N = (Br-
8C2H3N)
(
8
) +
= (
9
)
By formula: (Br-
8C2H3N) + C2H3N = (Br-
9C2H3N)
(
9
) +
= (
10
)
By formula: (Br-
9C2H3N) + C2H3N = (Br-
10C2H3N)
(
10
) +
= (
11
)
By formula: (Br-
10C2H3N) + C2H3N = (Br-
11C2H3N)
(
11
) +
= (
12
)
By formula: (Br-
11C2H3N) + C2H3N = (Br-
12C2H3N)
(
12
) +
= (
13
)
By formula: (Br-
12C2H3N) + C2H3N = (Br-
13C2H3N)
(
13
) +
= (
14
)
By formula: (Br-
13C2H3N) + C2H3N = (Br-
14C2H3N)
+
= (
)
By formula: Br- + C2H5Br = (Br-
C2H5Br)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.0 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rH° | 11.60 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.2 | cal/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 5.90 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rG° | 5.90 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B |
+
= (
)
By formula: Br- + C2H5Cl = (Br-
C2H5Cl)
+
= (
)
By formula: Br- + C2H6OS = (Br-
C2H6OS)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 17.30 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
rH° | 17.2 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 21.4 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.90 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
(
) +
= (
2
)
By formula: (Br-
C2H6OS) + C2H6OS = (Br-
2C2H6OS)
(
2
) +
= (
3
)
By formula: (Br-
2C2H6OS) + C2H6OS = (Br-
3C2H6OS)
+
= C2H6BrO-
By formula: Br- + C2H6O = C2H6BrO-
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.10 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | 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 |
+ 2
= C4H12BrO2-
By formula: Br- + 2C2H6O = C4H12BrO2-
+ 3
= C6H18BrO3-
By formula: Br- + 3C2H6O = C6H18BrO3-
+
= C3BrF6-
By formula: Br- + C3F6 = C3BrF6-
+
= (
)
By formula: Br- + C3H7Br = (Br-
C3H7Br)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rH° | 12.20 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.9 | cal/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 6.30 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rG° | 6.30 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B |
+
= (
)
By formula: Br- + C3H7Br = (Br-
C3H7Br)
+
= (
)
By formula: Br- + C3H7Cl = (Br-
C3H7Cl)
+
= (
)
By formula: Br- + C3H7Cl = (Br-
C3H7Cl)
+
= C3H8BrO-
By formula: Br- + C3H8O = C3H8BrO-
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.40 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.35 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
rG° | 9.2 ± 2.0 | kcal/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-
+
= (
)
By formula: Br- + C4H9Br = (Br-
C4H9Br)
+
= (
)
By formula: Br- + C4H9Br = (Br-
C4H9Br)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 15.6 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rH° | 12.40 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.3 | cal/mol*K | HPMS | Dougherty, 1974 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 7.30 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
rG° | 6.70 | kcal/mol | TDAs | Dougherty, 1974 | gas phase; B |
+
= (
)
By formula: Br- + C4H9Cl = (Br-
C4H9Cl)
+
= C4H10BrO-
By formula: Br- + C4H10O = C4H10BrO-
+ 2
= C8H20BrO2-
By formula: Br- + 2C4H10O = C8H20BrO2-
+ 3
= C12H30BrO3-
By formula: Br- + 3C4H10O = C12H30BrO3-
+
= C5BrF8-
By formula: Br- + C5F8 = C5BrF8-
+
= (
)
By formula: Br- + C5H11Br = (Br-
C5H11Br)
+
= (
)
By formula: Br- + C6F6 = (Br-
C6F6)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 13.9 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 8.1 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B |
(
) +
= (
2
)
By formula: (Br-
C6F6) + C6F6 = (Br-
2C6F6)
+
= (
)
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- + C6H3N3O6 = (Br-
C6H3N3O6)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 22. | cal/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 |
rG° | 13.1 ± 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
rG° (kcal/mol) |
T (K) |
Method |
Reference |
Comment |
13.1 | 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 |
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- + 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- + 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- + 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- + 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- + 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- + 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- + 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- + C6H5ClO = (Br-
C6H5ClO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 21.2 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
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- + 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- + C6H5FO = (Br-
C6H5FO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.9 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H5FO = (Br-
C6H5FO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 23.3 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 13.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H5FO = (Br-
C6H5FO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 23.4 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 13.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; 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- + C6H5NO = (Br-
C6H5NO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 13.7 ± 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 |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 5.2 ± 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 |
+
= (
)
By formula: Br- + C6H5NO2 = (Br-
C6H5NO2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 15.0 ± 1.8 | kcal/mol | TDAs | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 20.2 | 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 | TDAs | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
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- + 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- + C6H6O = (Br-
C6H6O)
Free energy of reaction
+
= (
)
By formula: Br- + C6H6 = (Br-
C6H6)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 9.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
rS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; B |
rG° | 3.9 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H7NO = (Br-
C6H7NO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 19.5 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 9.8 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H7NO = (Br-
C6H7NO)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.3 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C6H7N = (Br-
C6H7N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 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° | 6.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..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- + C7H4F3NO2 = (Br-
C7H4F3NO2)
+
= (
)
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- + 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- + 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- + 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- + C7H5F3O = (Br-
C7H5F3O)
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- + C7H5F3O = (Br-
C7H5F3O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 24.1 | 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 |
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- + 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- + 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- + 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- + 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- + 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- + 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- + C7H5N = (Br-
C7H5N)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 14.7 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 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° | 6.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H6O = (Br-
C7H6O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 13.2 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; 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 |
Free energy of reaction
+
= (
)
By formula: Br- + C7H6O2 = (Br-
C7H6O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 18.3 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 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° | 9.8 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B |
Free energy of reaction
+
= (
)
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- + 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- + 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° | 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
+
= (
)
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- + C7H8O = (Br-
C7H8O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.6 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
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- + C7H8O = (Br-
C7H8O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.3 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H8O = (Br-
C7H8O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.6 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 10.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H8O2 = (Br-
C7H8O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 22.1 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 12.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; B |
Free energy of reaction
+
= (
)
By formula: Br- + C7H8O2 = (Br-
C7H8O2)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 21.0 ± 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; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 11.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; «DELTA»Gaff at 423 K; 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- + 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- + 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
+
= (
)
By formula: Br- + C8H8O2 = (Br-
C8H8O2)
+
= (
)
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
(
4294967295
) +
= 
By formula: (Br-
4294967295Cs) + Cs = Br-
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 29.80 ± 0.96 | kcal/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 |
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 |
(
) +
= (
2
)
By formula: (Br-
HBr) + HBr = (Br-
2HBr)
Bond type: Hydrogen bond (negative ion to hydride)
(
) +
= (
)
By formula: (Br-
HBr) + O2S = (Br-
O2S
HBr)
+
= (
)
By formula: Br- + HCl = (Br-
HCl)
Bond type: Hydrogen bond (negative ion to hydride)
(
) +
= (
2
)
By formula: (Br-
HCl) + HCl = (Br-
2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
(
) +
= (
)
By formula: (Br-
HCl) + O2S = (Br-
O2S
HCl)
+
= (
)
By formula: Br- + HF = (Br-
HF)
Bond type: Hydrogen bond (negative ion to hydride)
+
= (
)
By formula: Br- + HNO3 = (Br-
HNO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 20.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), «DELTA»rH>; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 18.5 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), «DELTA»rH>; M |
Free energy of reaction
(
) +
= (
2
)
By formula: (Br-
HNO3) + HNO3 = (Br-
2HNO3)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 18.1 | kcal/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 |
rS° | 23.6 | cal/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 |
rG° | 11.1 | kcal/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 |
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 |
(
) +
= (
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 |
(
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 |
(
4
) +
= (
5
)
By formula: (Br-
4H2O) + H2O = (Br-
5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 10.80 ± 0.30 | 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 |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 28.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.3 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
(
5
) +
= (
6
)
By formula: (Br-
5H2O) + H2O = (Br-
6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 10.30 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
rH° | 6.0 ± 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 |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 28.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.8 ± 2.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
(
6
) +
= (
7
)
By formula: (Br-
6H2O) + H2O = (Br-
7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 10.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
rH° | 2.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; B |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 29. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 1.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
(
7
) +
= (
8
)
By formula: (Br-
7H2O) + H2O = (Br-
8H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.6 ± 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 |
(
8
) +
= (
9
)
By formula: (Br-
8H2O) + H2O = (Br-
9H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 0.7 ± 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 |
(
9
) +
= (
10
)
By formula: (Br-
9H2O) + H2O = (Br-
10H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.6 ± 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 |
(
10
) +
= (
11
)
By formula: (Br-
10H2O) + H2O = (Br-
11H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.6 ± 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 |
(
11
) +
= (
12
)
By formula: (Br-
11H2O) + H2O = (Br-
12H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 2.5 ± 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 |
(
12
) +
= (
13
)
By formula: (Br-
12H2O) + H2O = (Br-
13H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 1.8 ± 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 |
(
13
) +
= (
14
)
By formula: (Br-
13H2O) + H2O = (Br-
14H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 3.2 ± 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 |
(
14
) +
= (
15
)
By formula: (Br-
14H2O) + H2O = (Br-
15H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | -0.5 ± 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 |
(
15
) +
= (
16
)
By formula: (Br-
15H2O) + H2O = (Br-
16H2O)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 2.3 ± 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 |
+
= (
)
By formula: Br- + H3N = (Br-
H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 7.70 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.1 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | 2.00 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
+
= (
)
By formula: Br- + Kr = (Br-
Kr)
+
= (
)
By formula: Br- + N2O = (Br-
N2O)
(
) +
= (
2
)
By formula: (Br-
N2O) + N2O = (Br-
2N2O)
(
2
) +
= (
3
)
By formula: (Br-
2N2O) + N2O = (Br-
3N2O)
+
= (
)
By formula: Br- + O2S = (Br-
O2S)
(
) +
= (
)
By formula: (Br-
O2S) + HBr = (Br-
HBr
O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 12.2 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 19.2 | cal/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 |
rH° | 22.4 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
(
) +
= (
2
)
By formula: (Br-
O2S) + O2S = (Br-
2O2S)
(
2
) +
= (
3
)
By formula: (Br-
2O2S) + O2S = (Br-
3O2S)
+
= BrO3S-
By formula: Br- + O3S = BrO3S-
(
4294967295
) +
= 
By formula: (Br-
4294967295Rb) + Rb = Br-
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rH° | 26.6 ± 1.0 | kcal/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 |
rH° | 3.60 ± 0.30 | kcal/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; B |
rH° | 2.90 ± 0.10 | kcal/mol | LPES | Yourshaw, Lenzer, et al., 1998 | gas phase; Given: 0.12692(.0005) eV; B |
rH° | 3.40 | kcal/mol | Mobl | Gatland, 1984 | gas phase; B,M |
Quantity |
Value |
Units |
Method |
Reference |
Comment |
rG° | -1.17 ± 0.30 | kcal/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction 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.
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