| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5387631 | Chemical Physics Letters | 2008 | 5 Pages |
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: (a) bonding, (b) nonbonding, and (c) antibonding orbitals, respectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yasuaki Kikuchi, Motoki Ishii, Kin-ya Akiba, Hiromi Nakai,