Bromine anion


Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
gas,1 bar39.075cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

Reaction thermochemistry data

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

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

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

(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
Δr11.60 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr12.3 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr12.3 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr5.4 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr5.7 ± 2.0kcal/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
Δr11.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.5 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.7 ± 1.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr4.1 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.4 ± 2.0kcal/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
Δr12.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Δr12.7kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr14.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Δr19.8cal/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.0 ± 2.8kcal/molTDAsBurdett and Hayhurst, 1982gas phase; B
Δr7.0 ± 2.0kcal/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
Δr25.8 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/APaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Δr23.cal/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
Δr16.1 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.4423.PHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
16.1423.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
Δr14.3 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Δr12.10 ± 0.40kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Δr12.90 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.9 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Δr12.9kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr12.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr16.5cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr8.70 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Δr8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
Δr9.20 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr8.0 ± 2.0kcal/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
Δr12.6 ± 1.8kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B
Δr25.7kcal/molPHPMSPaul and Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr4.1 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
16.0423.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
Δr20.8 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Δr19.6kcal/molPHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Δr23.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.1 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
11.1423.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
Δr20.6 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr17.5kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr22.cal/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
Δr13.9 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4367.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
Δr11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr26.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.90kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr3.3 ± 2.0kcal/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
Δr323.540 ± 0.050kcal/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr323.4 ± 2.1kcal/molG+TSTaft and Bordwell, 1988gas phase; B
Δr320.60kcal/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity Value Units Method Reference Comment
Δr318.30 ± 0.15kcal/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr318.2 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase; B
Δr315.40kcal/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
Δr15.5 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.1 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
6.1423.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
Δr16.2 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.8 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
6.8423.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
Δr19.8 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.4 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.4423.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
Δr21.6 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr12.2 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.2423.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
Δr17.6 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.2 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2423.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
Δr11.8 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr3.3 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
3.3423.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
Δr11.1 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
2.6423.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
Δr11.7 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr3.2 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
3.2423.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
Δr10.6 ± 1.6kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
2.1423.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
Δr8.6 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
0.1423.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
Δr12.4 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr3.9 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
3.9423.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
Δr14.1 ± 1.8kcal/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
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.6 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
5.6423.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
Δr8.70 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr8.50 ± 0.80kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Δr5.50kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr10.9cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr2.8 ± 1.2kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.20kcal/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
Δr28.4 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr18.7 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
18.7423.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
Δr25.2 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr15.5 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.5423.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
Δr24.4 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr14.7 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
14.7423.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
Δr24.1 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr14.4 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
14.4423.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
Δr17.6 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.2 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2423.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
Δr26.6 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr16.9 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
16.9423.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
Δr21.0 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.6 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.6423.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
Δr27.4 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr17.7 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.7423.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
Δr27.0 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr17.3 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.3423.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
Δr20.9 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.5423.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
Δr20.5 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.1423.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
Δr27.8 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr18.1 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
18.1423.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
Δr25.6 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr15.9 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.9423.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
Δr27.4 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/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
Δr17.7 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.7423.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
Δr16.1 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.7 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7423.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
Δr18.6 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.2 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.2423.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
Δr17.5 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1423.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
Δr15.8 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.4 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.4423.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
Δr19.2 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.1423.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
Δr16.4 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr7.0 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.0423.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
Δr17.3 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr7.9 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.9423.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
Δr18.5 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.1423.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
Δr18.6 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.2 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.2423.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
Δr19.7 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.3 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3423.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
Δr20.3 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.9 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.9423.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
Δr17.1 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr7.7 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.7423.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
Δr15.9 ± 1.8kcal/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
Δr22.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff at 423 K, ΔSaff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

References

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

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

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

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

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

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

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

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

Caldwell, Masucci, et al., 1989
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Burdett and Hayhurst, 1982
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Notes

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