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4-Cyclopentene-1,3-dione


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 compiled as indicated in comments:
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
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.14 ± 0.13IMREPaul and Kebarle, 1989«DELTA»Gea(423 K) = -25.8±1 kcal/mol, «DELTA»S(est) = -1±3 eu; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.6PEGleiter, Dobler, et al., 1982LBLHLM
9.8PEGleiter, Dobler, et al., 1982Vertical value; LBLHLM
10.25PEBain and Frost, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H4O+10.88COEIBurgers, Holmes, et al., 1982LBLHLM

References

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

Paul and Kebarle, 1989
Paul, G.; Kebarle, P., Electron Affinities of Cyclic Unsaturated Dicarbonyls: Maleic Anhydrides, Maleimides, and Cyclopentendione, J. Am. Chem. Soc., 1989, 111, 2, 464, https://doi.org/10.1021/ja00184a009 . [all data]

Gleiter, Dobler, et al., 1982
Gleiter, R.; Dobler, W.; Eckert-Maksic, M., The electronic structure of o-tropoquinone, p-tropoquinone, and cyclopentene-1,2,3-trione - PE spectroscopic investigations, Nouv. J. Chim., 1982, 6, 123. [all data]

Bain and Frost, 1973
Bain, A.D.; Frost, D.C., Studies of the carbonyl group in some five-membered ring compounds by photoelectron spectroscopy, Can. J. Chem., 1973, 51, 1245. [all data]

Burgers, Holmes, et al., 1982
Burgers, P.C.; Holmes, J.L.; Lossing, F.P.; Mommers, A.A.; Povel, F.R.; Terlouw, J.K., Isomeric and tautomeric [C4H4O]+ ions. Their thermochemistry and collisionally induced fragmentation characteristics, Can. J. Chem., 1982, 60, 2246. [all data]


Notes

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