Hydrogen bromide

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Gas phase thermochemistry data

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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
Δfgas-36.29 ± 0.16kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-36.44kJ/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar198.700 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar198.70J/mol*KReviewChase, 1998Data last reviewed in September, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1100.1100. to 6000.
A 31.7140932.88913
B -13.699922.822116
C 23.35567-0.478035
D -9.0085290.032464
E -0.028758-3.174958
F -45.57464-52.46318
G 240.0428230.8597
H -36.44306-36.44306
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to HBr+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.68 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)584.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity557.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.71PEKimura, Katsumata, et al., 1981LLK
11.66 ± 0.02PITiedemann, Anderson, et al., 1979LLK
11.67EVALHuber and Herzberg, 1979LLK
11.645 ± 0.005PEDelwiche, Natalis, et al., 1973LLK
11.677 ± 0.004DERHaugh and Bayes, 1971LLK
11.67 ± 0.01PELempka, Passmore, et al., 1968RDSH
11.71 ± 0.01PEFrost, McDowell, et al., 1967RDSH
11.68 ± 0.03PIWatanabe, 1957RDSH

De-protonation reactions

Bromine anion + Hydrogen cation = Hydrogen bromide

By formula: Br- + H+ = HBr

Quantity Value Units Method Reference Comment
Δr1353.69 ± 0.21kJ/molD-EABlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr1353. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase; B
Δr1341.4kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity Value Units Method Reference Comment
Δr1331.8 ± 0.63kJ/molH-TSBlondel, Cacciani, et al., 1989gas phase; reported: 27129.170±0.015 cm-1; B
Δr1331. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase; B
Δr1319.6kJ/molN/ACheck, Faust, et al., 2001gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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

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
Δr86.2 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr73.2kJ/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr92.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
Δr58. ± 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 • Hydrogen bromide) + Hydrogen bromide = (Bromine anion • 2Hydrogen bromide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.0kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr71.1J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

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

By formula: (Br- • O2S) + HBr = (Br- • HBr • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr51.0kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
Δr80.3J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M

Methyl cation + Hydrogen bromide = (Methyl cation • Hydrogen bromide)

By formula: CH3+ + HBr = (CH3+ • HBr)

Quantity Value Units Method Reference Comment
Δr232.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

HBr+ + Hydrogen bromide = (HBr+ • Hydrogen bromide)

By formula: HBr+ + HBr = (HBr+ • HBr)

Quantity Value Units Method Reference Comment
Δr96.kJ/molPITiedemann, Anderson, et al., 1979gas phase; M

Iodide + Hydrogen bromide = (Iodide • Hydrogen bromide)

By formula: I- + HBr = (I- • HBr)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr67.4 ± 8.4kJ/molTDEqCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr82.0J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(I-)SO2; M
Quantity Value Units Method Reference Comment
Δr43. ± 11.kJ/molTDEqCaldwell and Kebarle, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
42.7300.PHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(I-)SO2; M

NO3 anion + Hydrogen bromide = (NO3 anion • Hydrogen bromide)

By formula: NO3- + HBr = (NO3- • HBr)

Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr73. ± 16.kJ/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Anchored to HBr..Br- in Caldwell and Kebarle, 1985.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
53.1367.FADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M

(NO3 anion • Nitric acid) + Hydrogen bromide = (NO3 anion • Hydrogen bromide • Nitric acid)

By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M
Quantity Value Units Method Reference Comment
Δr38.kJ/molFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M

Mass spectrum (electron ionization)

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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 157480

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References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Tiedemann, Anderson, et al., 1979
Tiedemann, P.W.; Anderson, S.L.; Ceyer, S.T.; Hirooka, T.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T., Proton affinities of hydrogen halides determined by the molecular beam photoionization method, J. Chem. Phys., 1979, 71, 605. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Delwiche, Natalis, et al., 1973
Delwiche, J.; Natalis, P.; Momigny, J.; Collin, J.E., On the photoelectron spectra of HBr DBr, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 219. [all data]

Haugh and Bayes, 1971
Haugh, M.J.; Bayes, K.D., Predissociation and dissociation energy of HBr+, J. Phys. Chem., 1971, 75, 1472. [all data]

Lempka, Passmore, et al., 1968
Lempka, H.J.; Passmore, T.R.; Price, W.C., The photoelectron spectra and ionized states of the halogen acids, Proc. Roy. Soc. (London), 1968, A304, 53. [all data]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A., Photoelectron spectra of the halogens and the hydrogen halides, J. Chem. Phys., 1967, 46, 4255. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [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]

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]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References