Discovery of hexacoordinate hypervalent carbon compounds: Density functional study

Yasuaki Kikuchi, Motoki Ishii, Kin ya Akiba, Hiromi Nakai

Research output: Contribution to journalArticle

10 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)37-41
Number of pages5
JournalChemical Physics Letters
Volume460
Issue number1-3
DOIs
Publication statusPublished - 2008 Jul 20

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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