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Gas phase ion energetics 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.

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 Br2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.517 ± 0.003eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.42002ECDAyala, Wentworth, et al., 1981Vertical Detachment Energy: 1.60 eV; B
2.60 ± 0.20NBIEDispert and Lacmann, 1977B
2.62 ± 0.20EndoHughes, Lifschitz, et al., 1973B
2.55 ± 0.10NBIEBaeda, 1972B
2.51 ± 0.10EndoChupka, Berkowitz, et al., 1971B
2.87 ± 0.14EIAEDeCorpo and Franklin, 1971From CBr4; B
1.470 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.518 ± 0.003TEYencha, Hopkirk, et al., 1995LL
10.516 ± 0.005TERuscic and Berkowitz, 1994LL
10.51 ± 0.02PIMonks, Stief, et al., 1994LL
10.5 ± 0.3EILau and Hildenbrand, 1987LBLHLM
10.515 ± 0.005PEVan Lonkhuyzen and De Lange, 1984LBLHLM
10.55PEKimura, Katsumata, et al., 1981LLK
10.52EVALHuber and Herzberg, 1979LLK
10.8 ± 0.2EIKaposi, Popovic, et al., 1977LLK
10.51 ± 0.01PEPotts and Price, 1971LLK
10.7 ± 0.1EIDeCorpo and Franklin, 1971LLK
10.51PECornford, Frost, et al., 1971LLK
10.52 ± 0.01PIDibeler, Walker, et al., 1970RDSH
10.56 ± 0.01SVenkateswarlu, 1968RDSH
10.51PEDyke, Josland, et al., 1984Vertical value; LBLHLM
10.57PEUtsunomiya, Kobayashi, et al., 1976Vertical value; LLK
10.92PEUtsunomiya, Kobayashi, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+10.48 ± 0.02Br-PIMorrison, Hurzeler, et al., 1960RDSH
Br+10.38 ± 0.05Br-EIFrost and McDowell, 1960RDSH
Br+10.31Br-PIWatanabe, 1957RDSH

Anion 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


Go To: Top, 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.

Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

Dispert and Lacmann, 1977
Dispert, H.; Lacmann, K., Chemiionization in alkali-halogen reactions: Evidence for ion formation by alkali dimers, Chem. Phys. Lett., 1977, 47, 533. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Baeda, 1972
Baeda, A.P.M., The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2, Physica, 1972, 59, 541. [all data]

Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D., Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange, J. Chem. Phys., 1971, 55, 6, 2724, . [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J., Ion pair formation in alkali-halogen collisions at high velocities, Chem. Phys., 1976, 17, 303. [all data]

Yencha, Hopkirk, et al., 1995
Yencha, A.J.; Hopkirk, A.; Hiraya, A.; Donovan, R.J.; Goode, J.G.; Maier, R.R.J.; King, G.C.; Kvaran, A., Threshold photoelectron spectroscopy of Cl2 and Br2 up to 35 eV, J. Phys. Chem., 1995, 99, 7231. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., Threshold photoelectron spectrum of HOBr, J. Chem. Phys., 1994, 101, 9215. [all data]

Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Klemm, R.B., A discharge flow-photoionization mass spectrometric study of HOBr (X<1>A'): Photoion yield spectrum, ionization energy, and thermochemistry, J. Chem. Phys., 1994, 100, 1902. [all data]

Lau and Hildenbrand, 1987
Lau, K.H.; Hildenbrand, D.L., Thermochemistry of the gaseous uranium bromides UBr through UBr5(a), J. Chem. Phys., 1987, 86, 2949. [all data]

Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A., High-resolution UV photoelectron spectroscopy of diatomic halogens, Chem. Phys., 1984, 89, 313. [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]

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]

Kaposi, Popovic, et al., 1977
Kaposi, O.; Popovic, A.; Marsel, J., Mass spectrometric studies of tungsten bromides and oxybromides, J. Inorg. Nucl. Chem., 1977, 39, 1809. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Threshold for molecular photoionization of bromine, J. Chem. Phys., 1970, 53, 4715. [all data]

Venkateswarlu, 1968
Venkateswarlu, P., Vacuum ultraviolet spectrum of bromine molecule, Bull. Am. Phys. Soc., 1968, 13, 1666. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]

Utsunomiya, Kobayashi, et al., 1976
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron spectra of electron donor-acceptor complexes between bromine and alkylamines, Chem. Phys. Lett., 1976, 39, 245. [all data]

Morrison, Hurzeler, et al., 1960
Morrison, J.D.; Hurzeler, H.; Inghram, M.G.; Stanton, H.E., Threshold law for the probability of excitation of molecules by photon impact. A study of the photoionization efficiencies of Br2, I2, HI, and CH3I, J. Chem. Phys., 1960, 33, 821. [all data]

Frost and McDowell, 1960
Frost, D.C.; McDowell, C.A., The ionization and dissociation of some halogen molecules by electron impact, Can. J. Chem., 1960, 38, 407. [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, . [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, . [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, . [all data]


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