Issue 6, 1973

A non-empirical LCAO–MO–SCF study on the site of protonation of keten

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.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1973, 795-797

A non-empirical LCAO–MO–SCF study on the site of protonation of keten

A. C. Hopkinson, J. Chem. Soc., Perkin Trans. 2, 1973, 795 DOI: 10.1039/P29730000795

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