Journal
CHEMICAL PHYSICS LETTERS
Volume 460, Issue 1-3, Pages 37-41Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2008.05.079
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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. (C) 2008 Elsevier B. V. All rights reserved.
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