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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:
MM - Michael M. Meot-Ner (Mautner)
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 Xe+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.12987eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)499.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity478.1kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
495.8 ± 8.4Ling, Milburn, et al., 1999T = 298K; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
474.5 ± 8.4Ling, Milburn, et al., 1999T = 298K; MM

Protonation entropy at 298K

Protonation entropy (J/mol*K) Reference Comment
37.Ling, Milburn, et al., 1999T = 298K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.12987EVALLide, 1992LL
12.03EIWetzel, Baiocchi, et al., 1987LBLHLM
12.13EISchafer and Rabeneck, 1987LBLHLM
12.130PEKimura, Katsumata, et al., 1981LLK
12.12 ± 0.02EIRauh and Ackermann, 1979LLK
12.130PEDehmer and Dehmer, 1977LLK
12.127 ± 0.002TESpohr, Guyon, et al., 1971LLK
12.12987SMoore, 1970RDSH
12.09 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
12.125 ± 0.004CIHotop and Niehaus, 1969RDSH
12.15 ± 0.03EIWinters, Collins, et al., 1966RDSH
12.12 ± 0.01PIDibeler, Reese, et al., 1966RDSH
12.129 ± 0.002PINicholson, 1965RDSH
12.129 ± 0.002PINicholson, 1963RDSH
12.17PEAl-Joboury and Turner, 1963RDSH


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]

Ling, Milburn, et al., 1999
Ling, Y.; Milburn, R.K.; Hopkinson, A.C.; Bohme, D.K., Experimental and theoretical studies of the proton affinity of SiF4 and the structure of SiF4H+, J. Am. Soc. Mass Spectrom., 1999, 10, 848. [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Wetzel, Baiocchi, et al., 1987
Wetzel, R.C.; Baiocchi, F.A.; Hayes, T.R.; Freund, R.S., Absolute cross sections for electron-impact ionization of the rare-gas atoms by the fast-neutral-beam method, Phys. Rev. A, 1987, 35, 559. [all data]

Schafer and Rabeneck, 1987
Schafer, H.; Rabeneck, H., Massenspektroskopische untersuchung der borfluorid-komplexe ABF4, Z. Anorg. Allg. Chem., 1987, 545, 224. [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]

Rauh and Ackermann, 1979
Rauh, E.G.; Ackermann, R.J., The first ionization potentials of the transition metals, J. Chem. Phys., 1979, 70, 1004. [all data]

Dehmer and Dehmer, 1977
Dehmer, P.M.; Dehmer, J.L., Photoelectron spectrum of the Xe2 van der Waals molecule, J. Chem. Phys., 1977, 67, 1774. [all data]

Spohr, Guyon, et al., 1971
Spohr, R.; Guyon, P.M.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron detector for use in the vacuum ultraviolet, Rev. Sci. Instrum., 1971, 42, 1872. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]

Johnstone, Mellon, et al., 1970
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D., Online acquisition of ionization efficiency data, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 241. [all data]

Hotop and Niehaus, 1969
Hotop, H.; Niehaus, A., Reactions of excited atoms molecules with atoms and molecules. II. Energy analysis of penning electrons, Z. Phys., 1969, 228, 68. [all data]

Winters, Collins, et al., 1966
Winters, R.E.; Collins, J.H.; Courchene, W.L., Resolution of fine structure in ionization-efficiency curves, J. Chem. Phys., 1966, 45, 1931. [all data]

Dibeler, Reese, et al., 1966
Dibeler, V.H.; Reese, R.M.; Krauss, M., Mass spectrometric study of the photoionization of small molecules, Advan. Mass Spectrom., 1966, 3, 471. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Nicholson, 1963
Nicholson, A.J.C., Photo-ionization efficiency curves. Measurement of ionization potentials and interpretation of fine structure, J. Chem. Phys., 1963, 39, 954. [all data]

Al-Joboury and Turner, 1963
Al-Joboury, M.I.; Turner, D.W., Molecular photo-electron spectroscopy. Part I. The hydrogen and nitrogen molecules, J. Chem. Soc., 1963, 5141. [all data]


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