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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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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

Quantity Value Units Method Reference Comment
IE (evaluated)11.38 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)615.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity586.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
≤11.37 ± 0.05PIRuscic, Mayhew, et al., 1988LL
11.4PEAsbrink, Svensson, et al., 1981LLK
11.41 ± 0.02PELloyd and Lynaugh, 1970RDSH
11.38 ± 0.01PEBrundle, Robin, et al., 1970RDSH
20.2 ± 0.1PEBrundle, Robin, et al., 1970RDSH
11.37 ± 0.01PERose, Frey, et al., ibid.RDSH
11.9PEAsbrink, Svensson, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+18.39 ± 0.02?EIWilson and McGee, 1967RDSH
BH+16.4 ± 0.3?EIWilson and McGee, 1967RDSH
BH2+≤14.840 ± 0.017BH3+HPIRuscic, Mayhew, et al., 1988LL
BH2+15.5 ± 0.05?EIWilson and McGee, 1967RDSH
BH2+13.4 ± 0.1?EIKoski, Kaufman, et al., 1958RDSH
BH2+13.5 ± 0.5?EIMargrave, 1957RDSH
BH3+≤14.31BH3PIRuscic, Mayhew, et al., 1988LL
BH3+14.88 ± 0.05BH3?EIWilson and McGee, 1967RDSH
BH3+13.1 ± 0.2BH3?EIKoski, Kaufman, et al., 1958RDSH
BH3+12.1 ± 0.2BH3?EIMargrave, 1957RDSH
B2+21.1 ± 0.23H2EIKoski, Kaufman, et al., 1958RDSH
B2+26.3 ± 0.5?EIMargrave, 1957RDSH
B2H+21.4 ± 0.52H2+HEIMargrave, 1957RDSH
B2H2+≤13.252H2PIRuscic, Mayhew, et al., 1988LL
B2H2+14.1 ± 0.22H2EIFehlner and Koski, 1964RDSH
B2H2+13.8 ± 0.12H2EIKoski, Kaufman, et al., 1958RDSH
B2H2+13.8 ± 0.22H2EIMargrave, 1957RDSH
B2H3+≤14.15H2+HPIRuscic, Mayhew, et al., 1988LL
B2H3+14.3 ± 0.2H2+HEIFehlner and Koski, 1964RDSH
B2H3+14.2 ± 0.1H2+HEIKoski, Kaufman, et al., 1958RDSH
B2H3+14.8 ± 0.5H2+HEIMargrave, 1957RDSH
B2H4+≤11.75H2PIRuscic, Mayhew, et al., 1988LL
B2H4+12.3 ± 0.2H2EIFehlner and Koski, 1964RDSH
B2H4+12.3 ± 0.1H2EIKoski, Kaufman, et al., 1958RDSH
B2H4+12.4 ± 0.3H2EIMargrave, 1957RDSH
B2H5+≤11.40 ± 0.05HPIRuscic, Mayhew, et al., 1988LL
B2H5+11.8 ± 0.1HEIWilson and McGee, 1967RDSH
B2H5+12.0 ± 0.1HEIFehlner and Koski, 1964RDSH
B2H5+11.9 ± 0.1HEIKoski, Kaufman, et al., 1958RDSH
B2H5+12.0 ± 0.3HEIMargrave, 1957RDSH


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.

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]

Ruscic, Mayhew, et al., 1988
Ruscic, B.; Mayhew, C.A.; Berkowitz, J., Photoionization studies of (BH3)n(n=1,2), J. Chem. Phys., 1988, 88, 5580. [all data]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Lloyd and Lynaugh, 1970
Lloyd, D.R.; Lynaugh, N., Photoelectron studies of boron compounds. I. Diborane, borazine and B-trifluoroborazine, Phil. Trans. Roy. Soc. (London), 1970, A268, 97. [all data]

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.; Pinsky, M.; Bond, A., Experimental and theoretical comparison of the electronic structures of ethylene and diborane, J. Am. Chem. Soc., 1970, 92, 3863. [all data]

Rose, Frey, et al., ibid.
Rose, T.; Frey, R.; Brehm, B., The electronic states of the diborane ion determined by photoelectron spectroscopy, Chem. Commun. 1969,,1518; Erratum,, ibid., 1970, ,460. [all data]

Wilson and McGee, 1967
Wilson, J.H.; McGee, H.A., Jr., Mass-spectrometric studies of the synthesis, energetics, and cryogenic stability of the lower boron hydrides, J. Chem. Phys., 1967, 46, 1444. [all data]

Koski, Kaufman, et al., 1958
Koski, W.S.; Kaufman, J.J.; Pachucki, C.F.; Shipko, F.J., A mass spectrometric appearance potential study of isotopically labeled diboranes, J. Am. Chem. Soc., 1958, 80, 3202. [all data]

Margrave, 1957
Margrave, J.L., A mass spectrometric appearance potential study of diborane, J. Phys. Chem., 1957, 61, 38. [all data]

Fehlner and Koski, 1964
Fehlner, T.P.; Koski, W.S., The fragmentation of some boron hydrides by electron impact, J. Am. Chem. Soc., 1964, 86, 581. [all data]


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