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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
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 C3H4O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.11 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)190.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity182.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.10CIOhno, Okamura, et al., 1995LL
10.1PEBock, Mohmand, et al., 1982LBLHLM
10.1PEVon Niessen, Bieri, et al., 1980LLK
10.11PEVan Dam and Oskam, 1978LLK
10.11PEMasclet and Mouvier, 1978LLK
10.13PEKatrib and Rabalais, 1973LLK
10.14 ± 0.06EIReed and Thornley, 1958RDSH
10.10 ± 0.01PIWatanabe, 1957RDSH
10.103 ± 0.006SWalsh, 1945RDSH
10.15PESchweig, Vermeer, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+13.30 ± 0.10C2H3EIHaney and Franklin, 1969RDSH
C2H3+13.64CHO?EIHaney and Franklin, 1969RDSH


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]

Ohno, Okamura, et al., 1995
Ohno, K.; Okamura, K.; Yamakado, H.; Hoshino, S.; Takami, T.; Yamauchi, M., Penning ionization of HCHO, CH2CH2, and CH2CHCHO by collision with He*(2 3S) metastable atoms, J. Phys. Chem., 1995, 99, 14247. [all data]

Bock, Mohmand, et al., 1982
Bock, H.; Mohmand, S.; Hirabayashi, T.; Semkow, A., Thioacrolein: Das stabilste C3H4S-Isomers und sein PE-spektroskopischer Nachweis in der gasphase, Chem. Ber., 1982, 115, 1339. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Van Dam and Oskam, 1978
Van Dam, H.; Oskam, A., He(I) and He(II) photoelectron spectra of some substituted ethylenes, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 273. [all data]

Masclet and Mouvier, 1978
Masclet, P.; Mouvier, G., Etude par spectrometrie photoelectronique d'aldehydes et de cetones ethyleniques conjugues, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 77. [all data]

Katrib and Rabalais, 1973
Katrib, A.; Rabalais, J.W., Electronic interaction between the vinyl group and its substituents, J. Phys. Chem., 1973, 77, 2358. [all data]

Reed and Thornley, 1958
Reed, R.I.; Thornley, M.B., Studies in electron impact methods. Part 5. Acetaldehyde, acrolein, benzaldehyde, and propionaldehyde, J. Chem. Soc. Faraday Trans., 1958, 54, 949. [all data]

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

Walsh, 1945
Walsh, A.D., The absorption spectra of acrolein, crotonaldehyde and mesityl oxide in the vacuum ultra-violet, J. Chem. Soc. Faraday Trans., 1945, 41, 498. [all data]

Schweig, Vermeer, et al., 1974
Schweig, A.; Vermeer, H.; Weidner, U., A photoelectron spectroscopic study of keto-enol tautomerism in acetylacetones - a new application of photoelectron spectroscopy, Chem. Phys. Lett., 1974, 26, 229. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]


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