The carbon atom in methane

G. Howat; B. C. Webster

doi:10.1039/J19710000013

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Journal of the Chemical Society A: Inorganic, Physical, Theoretical

Issue 0, 1971

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The carbon atom in methane

G. Howat and B. C. Webster

J. Chem. Soc. A, 1971, 13-16

DOI: 10.1039/J19710000013

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Abstract
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Atomic Hartree–Fock calculations are presented for a variety of descriptions of the carbon atom in methane. The most favourable description is found to be that in which the atom in the molecule is equivalent energetically to the quintet term of carbon in an sp³ configuration, upholding the simple chemical conception.

In contrast to the sulphur atom in sulphur hexafluoride valence orbital size is observed to be almost independent of the expression chosen to represent the atom in the molecule.

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Journal of the Chemical Society A: Inorganic, Physical, Theoretical

The carbon atom in methane

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