Title of article
Discovery of hexacoordinate hypervalent carbon compounds: Density functional study
Author/Authors
Kikuchi، نويسنده , , Yasuaki and Ishii، نويسنده , , Motoki and Akiba، نويسنده , , Kin-ya and Nakai، نويسنده , , Hiromi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
5
From page
37
To page
41
Abstract
The existence of hexacoordinate hypervalent carbon compounds is discovered theoretically. Kohn–Sham orbitals related to three-center four-electron bonds are obtained for a compound, in which two 2,6-bis(p-methylphenyloxymethyl)phenyl groups are bonded to a carbon atom. Estimated bond energies confirm the existence of the hypervalent bond between carbon and oxygen atoms.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1924430
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