A non-empirical LCAO–MO–SCF study on the site of protonation of keten
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 6,p. 795-797
- https://doi.org/10.1039/p29730000795
Abstract
β-Carbon-protonated keten (the methyloxocarbenium or acetyl ion) is computed to be more stable than its α-carbon- or oxygen-protonated isomers. The proton affinities of C2O2–, HC2O–, and H2C2O are computed to be 651·7, 448·4, and 216·8 kcal mol–1 respectively.Keywords
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