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:
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
B - John E. Bartmess

View reactions leading to C2H2O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.2eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.62 ± 0.26R-ACompton, Reinhardt, et al., 1983From ethylene carbonate; G3MP2B3 calculations indicate an EA of ca. 1.0 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.2PEBuhl, Kramme, et al., 1991LL
10.21PITraeger, 1985LBLHLM
9.48 ± 0.08EIReed and Brand, 1958RDSH
10.60 ± 0.05PEVerheijdt and Cerfontain, 1982Vertical value; LBLHLM
10.60PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.6PEVon Niessen, Bieri, et al., 1980Vertical value; LLK
10.52PEArnett, Newkome, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.20HCOPITraeger, 1985LBLHLM
CHO+12.72 ± 0.12CHOEIReed and Brand, 1958RDSH


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

Compton, Reinhardt, et al., 1983
Compton, R.N.; Reinhardt, P.W.; Schweinler, H.C., Formation of gas-phase negative ions in vinylene carbonate, Int. J. Mass Spectrom. Ion Phys., 1983, 49, 113. [all data]

Buhl, Kramme, et al., 1991
Buhl, M.; Kramme, R.; Martin, H.; Mayer, B.; Nowack, G., Konformation und lichtabsorption von hexa-1,5-den-3,4-dion (divinylglyoxal), Chem. Ber., 1991, 124, 821. [all data]

Traeger, 1985
Traeger, J.C., Heat of formation for the formyl cation by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1985, 66, 271. [all data]

Reed and Brand, 1958
Reed, R.I.; Brand, J.C.D., Electron impact studies. Part 4. Glyoxal, methylglyoxal and diacetyl, J. Chem. Soc. Faraday Trans., 1958, 54, 478. [all data]

Verheijdt and Cerfontain, 1982
Verheijdt, P.L.; Cerfontain, H., Dipole moments, spectroscopy, and ground and excited state conformations of cycloalkane-1,2-diones, J. Chem. Soc. Perkin Trans. 2, 1982, 1541. [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]

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]

Arnett, Newkome, et al., 1974
Arnett, J.F.; Newkome, G.; Mattice, W.L.; McGlynn, S.P., Excited electronic states of the α-dicarbonyls, J. Am. Chem. Soc., 1974, 96, 4385. [all data]


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