Bromine anion

Gas phase thermochemistry data

Go To: Top, 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.

Quantity Value Units Method Reference Comment
S°gas,1 bar163.49J/mol*KReviewChase, 1998Data last reviewed in June, 1982

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. 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

(Bromine anion • Water) + Water = (Bromine anion • 2Water)

By formula: (Br- • H2O) + H2O = (Br- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°51.04kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°51.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°51.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°75.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°95.8J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°26. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°23. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°22.6kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°24. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Bromine anion • 2Water) + Water = (Bromine anion • 3Water)

By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°47.7 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°48.1 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°48.1 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°104.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°20. ± 4.6kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°18. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Bromine anion + Water = (Bromine anion • Water)

By formula: Br- + H2O = (Br- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°53.14kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°49.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°52.72kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
ΔrH°53.1kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°61.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°77.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
ΔrS°82.8J/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°29. ± 12.kJ/molTDAsBurdett and Hayhurst, 1982gas phase; B
ΔrG°29. ± 8.4kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

Bromine anion + Benzaldehyde, 4-hydroxy- = (Bromine anion • Benzaldehyde, 4-hydroxy-)

By formula: Br- + C7H6O2 = (Br- • C7H6O2)

Quantity Value Units Method Reference Comment
ΔrH°108. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°67.4 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
64.4423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
67.4423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Acetonitrile = (Bromine anion • Acetonitrile)

By formula: Br- + C2H3N = (Br- • C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°59.8 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
ΔrH°50.6 ± 1.7kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B
ΔrH°54.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°54.0 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
ΔrH°54.0kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°51.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°69.0J/mol*KHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°36.4 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
ΔrG°37. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
ΔrG°38.5 ± 2.9kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°33. ± 8.4kJ/molTDAsYamdagni and Kebarle, 1972gas phase; B

Bromine anion + Benzene, (trifluoromethyl)- = (Bromine anion • Benzene, (trifluoromethyl)-)

By formula: Br- + C7H5F3 = (Br- • C7H5F3)

Quantity Value Units Method Reference Comment
ΔrH°52.7 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B
ΔrH°108.kJ/molPHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°17. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
66.9423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Phenol = (Bromine anion • Phenol)

By formula: Br- + C6H6O = (Br- • C6H6O)

Quantity Value Units Method Reference Comment
ΔrH°87.0 ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
ΔrH°82.0kJ/molPHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°46.4 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
46.4423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
46.4423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

Bromine anion + Hydrogen bromide = (Bromine anion • Hydrogen bromide)

By formula: Br- + HBr = (Br- • HBr)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°86.2 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°73.2kJ/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M
Quantity Value Units Method Reference Comment
ΔrS°93.3J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°92.J/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M
Quantity Value Units Method Reference Comment
ΔrG°58. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.367.FADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M

(Bromine anion • 3Water) + Water = (Bromine anion • 4Water)

By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°46.02 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°26. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°45.6 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°112.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.0 ± 2.9kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°12.1kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°14. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Bromine anion + Hydrogen cation = Hydrogen bromide

By formula: Br- + H+ = HBr

Quantity Value Units Method Reference Comment
ΔrH°1353.69 ± 0.21kJ/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
ΔrH°1353. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase; B
ΔrH°1341.4kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity Value Units Method Reference Comment
ΔrG°1331.8 ± 0.63kJ/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
ΔrG°1331. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase; B
ΔrG°1319.6kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B

Bromine anion + Benzene, 1-methyl-2-nitro- = (Bromine anion • Benzene, 1-methyl-2-nitro-)

By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)

Quantity Value Units Method Reference Comment
ΔrH°64.9 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°26. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-methyl-4-nitro- = (Bromine anion • Benzene, 1-methyl-4-nitro-)

By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)

Quantity Value Units Method Reference Comment
ΔrH°67.8 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°28. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + 3,5-Dinitrobenzotrifluoride = (Bromine anion • 3,5-Dinitrobenzotrifluoride)

By formula: Br- + C7H3F3N2O4 = (Br- • C7H3F3N2O4)

Quantity Value Units Method Reference Comment
ΔrH°82.8 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°43.5 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
43.5423.PHPMSPaul and Kebarle, 1991gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 3,5-dinitro- = (Bromine anion • Benzonitrile, 3,5-dinitro-)

By formula: Br- + C7H3N3O4 = (Br- • C7H3N3O4)

Quantity Value Units Method Reference Comment
ΔrH°90.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°51.0 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
51.0423.PHPMSPaul and Kebarle, 1991gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M

Bromine anion + 3,5-Bis(trifluoromethyl)nitrobenzene = (Bromine anion • 3,5-Bis(trifluoromethyl)nitrobenzene)

By formula: Br- + C8H3F6NO2 = (Br- • C8H3F6NO2)

Quantity Value Units Method Reference Comment
ΔrH°73.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°34. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.423.PHPMSPaul and Kebarle, 1991gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M

Bromine anion + Anisole = (Bromine anion • Anisole)

By formula: Br- + C7H8O = (Br- • C7H8O)

Quantity Value Units Method Reference Comment
ΔrH°49.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°14. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
14.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, chloro- = (Bromine anion • Benzene, chloro-)

By formula: Br- + C6H5Cl = (Br- • C6H5Cl)

Quantity Value Units Method Reference Comment
ΔrH°46.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°11. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
11.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzenamine, N,N-dimethyl- = (Bromine anion • Benzenamine, N,N-dimethyl-)

By formula: Br- + C8H11N = (Br- • C8H11N)

Quantity Value Units Method Reference Comment
ΔrH°49.0 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°13. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, fluoro- = (Bromine anion • Benzene, fluoro-)

By formula: Br- + C6H5F = (Br- • C6H5F)

Quantity Value Units Method Reference Comment
ΔrH°44.4 ± 6.7kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°8.8 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
8.8423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Toluene = (Bromine anion • Toluene)

By formula: Br- + C7H8 = (Br- • C7H8)

Quantity Value Units Method Reference Comment
ΔrH°36. ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°0.4 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
0.4423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, (trichloromethyl)- = (Bromine anion • Benzene, (trichloromethyl)-)

By formula: Br- + C7H5Cl3 = (Br- • C7H5Cl3)

Quantity Value Units Method Reference Comment
ΔrH°51.9 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°16. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Acetophenone = (Bromine anion • Acetophenone)

By formula: Br- + C8H8O = (Br- • C8H8O)

Quantity Value Units Method Reference Comment
ΔrH°59.0 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°23. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
23.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

(Bromine anion • 3Acetonitrile) + Acetonitrile = (Bromine anion • 4Acetonitrile)

By formula: (Br- • 3C2H3N) + C2H3N = (Br- • 4C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°36.4 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°35.6 ± 3.3kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B
ΔrH°23.0kJ/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°82.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°45.6J/mol*KHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°12. ± 5.0kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°9.20kJ/molTDAsYamdagni and Kebarle, 1972gas phase; B

Bromine anion + Phenol, 4-nitro- = (Bromine anion • Phenol, 4-nitro-)

By formula: Br- + C6H5NO3 = (Br- • C6H5NO3)

Quantity Value Units Method Reference Comment
ΔrH°119. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°78.2 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
78.2423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzaldehyde, 3-hydroxy- = (Bromine anion • Benzaldehyde, 3-hydroxy-)

By formula: Br- + C7H6O2 = (Br- • C7H6O2)

Quantity Value Units Method Reference Comment
ΔrH°105. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°64.9 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
64.9423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Phenol, 4-chloro- = (Bromine anion • Phenol, 4-chloro-)

By formula: Br- + C6H5ClO = (Br- • C6H5ClO)

Quantity Value Units Method Reference Comment
ΔrH°102. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°61.5 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
61.5423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Phenol, 3-chloro- = (Bromine anion • Phenol, 3-chloro-)

By formula: Br- + C6H5ClO = (Br- • C6H5ClO)

Quantity Value Units Method Reference Comment
ΔrH°101. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°60.2 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
60.2423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-fluoro-2-nitro- = (Bromine anion • Benzene, 1-fluoro-2-nitro-)

By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)

Quantity Value Units Method Reference Comment
ΔrH°73.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°34. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + 4-(Trifluoromethyl)-phenol = (Bromine anion • 4-(Trifluoromethyl)-phenol)

By formula: Br- + CF3C6H4OH = (Br- • CF3C6H4OH)

Quantity Value Units Method Reference Comment
ΔrH°111. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°70.7 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
70.7423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzene, 1,2-dinitro- = (Bromine anion • Benzene, 1,2-dinitro-)

By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)

Quantity Value Units Method Reference Comment
ΔrH°87.9 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°48.5 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
48.5423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Phenol, 3-nitro- = (Bromine anion • Phenol, 3-nitro-)

By formula: Br- + C6H5NO3 = (Br- • C6H5NO3)

Quantity Value Units Method Reference Comment
ΔrH°115. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°74.1 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
74.1423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 2-hydroxy- = (Bromine anion • Benzonitrile, 2-hydroxy-)

By formula: Br- + C7H5NO = (Br- • C7H5NO)

Quantity Value Units Method Reference Comment
ΔrH°113. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°72.4 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
72.4423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 2-nitro- = (Bromine anion • Benzonitrile, 2-nitro-)

By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)

Quantity Value Units Method Reference Comment
ΔrH°87.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°48.1 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
48.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 3-nitro- = (Bromine anion • Benzonitrile, 3-nitro-)

By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)

Quantity Value Units Method Reference Comment
ΔrH°85.8 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°46.4 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
46.4423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 4-hydroxy- = (Bromine anion • Benzonitrile, 4-hydroxy-)

By formula: Br- + C7H5NO = (Br- • C7H5NO)

Quantity Value Units Method Reference Comment
ΔrH°116. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°75.7 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
75.7423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Phenol, pentafluoro- = (Bromine anion • Phenol, pentafluoro-)

By formula: Br- + C6HF5O = (Br- • C6HF5O)

Quantity Value Units Method Reference Comment
ΔrH°107. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°66.5 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
66.5423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 3-hydroxy- = (Bromine anion • Benzonitrile, 3-hydroxy-)

By formula: Br- + C7H5NO = (Br- • C7H5NO)

Quantity Value Units Method Reference Comment
ΔrH°115. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°74.1 ± 4.2kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
74.1423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-chloro-4-nitro- = (Bromine anion • Benzene, 1-chloro-4-nitro-)

By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)

Quantity Value Units Method Reference Comment
ΔrH°67.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°28. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1,4-dinitro- = (Bromine anion • Benzene, 1,4-dinitro-)

By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)

Quantity Value Units Method Reference Comment
ΔrH°77.8 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-chloro-3-nitro- = (Bromine anion • Benzene, 1-chloro-3-nitro-)

By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)

Quantity Value Units Method Reference Comment
ΔrH°73.2 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°34. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-fluoro-4-nitro- = (Bromine anion • Benzene, 1-fluoro-4-nitro-)

By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)

Quantity Value Units Method Reference Comment
ΔrH°66.1 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°27. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
27.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + 2-Nitro-α,α,α-trifluorotoluene = (Bromine anion • 2-Nitro-α,α,α-trifluorotoluene)

By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)

Quantity Value Units Method Reference Comment
ΔrH°80.3 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°41. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + 4-Nitro-α,α,α-trifluorotoluene = (Bromine anion • 4-Nitro-α,α,α-trifluorotoluene)

By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)

Quantity Value Units Method Reference Comment
ΔrH°68.6 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°29. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
29.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-fluoro-3-nitro- = (Bromine anion • Benzene, 1-fluoro-3-nitro-)

By formula: Br- + C6H4FNO2 = (Br- • C6H4FNO2)

Quantity Value Units Method Reference Comment
ΔrH°72.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°33. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzaldehyde, 2-nitro- = (Bromine anion • Benzaldehyde, 2-nitro-)

By formula: Br- + C7H5NO3 = (Br- • C7H5NO3)

Quantity Value Units Method Reference Comment
ΔrH°77.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzonitrile, 4-nitro- = (Bromine anion • Benzonitrile, 4-nitro-)

By formula: Br- + C7H4N2O2 = (Br- • C7H4N2O2)

Quantity Value Units Method Reference Comment
ΔrH°77.8 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzaldehyde, 3-nitro- = (Bromine anion • Benzaldehyde, 3-nitro-)

By formula: Br- + C7H5NO3 = (Br- • C7H5NO3)

Quantity Value Units Method Reference Comment
ΔrH°82.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°43.1 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
43.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1,3-dinitro- = (Bromine anion • Benzene, 1,3-dinitro-)

By formula: Br- + C6H4N2O4 = (Br- • C6H4N2O4)

Quantity Value Units Method Reference Comment
ΔrH°84.9 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°45.6 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
45.6423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-chloro-2-nitro- = (Bromine anion • Benzene, 1-chloro-2-nitro-)

By formula: Br- + C6H4ClNO2 = (Br- • C6H4ClNO2)

Quantity Value Units Method Reference Comment
ΔrH°71.5 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°32. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Bromine anion + Benzene, 1-methyl-3-nitro- = (Bromine anion • Benzene, 1-methyl-3-nitro-)

By formula: Br- + C7H7NO2 = (Br- • C7H7NO2)

Quantity Value Units Method Reference Comment
ΔrH°66.5 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°27. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Protonation reactions

Bromine anion + Hydrogen cation = Hydrogen bromide

By formula: Br- + H+ = HBr

Quantity Value Units Method Reference Comment
ΔrH°1353.69 ± 0.21kJ/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1
ΔrH°1353. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase
ΔrH°1341.4kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4
Quantity Value Units Method Reference Comment
ΔrG°1331.8 ± 0.63kJ/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1
ΔrG°1331. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase
ΔrG°1319.6kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H2O and CH3CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O., Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters, J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J., Hydration of Negative Ions in the Gas Phase, J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145 . [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N., Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer., J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-), Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316 . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O., The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations., J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131 . [all data]

Yamdagni and Kebarle, 1972
Yamdagni, R.; Kebarle, P., Solvation of negative ions by protic and aprotic solvents. Gas phase solvation of halide ions by acetonitrile and water molecules, J. Am. Chem. Soc., 1972, 94, 2940. [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P., The hydrogen bond energies of the bihalide ions XHX- and YHX-, Can. J. Chem., 1985, 63, 1399. [all data]

Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J., The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr, Int. J. Chem. Kinet., 1977, 9, 17. [all data]

Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R., High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams, Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698 . [all data]

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References