Title: A system with three contiguous planar tetracoordinate carbons is viable: a computational study on a C 6 H 6 2= isomer
Abstract: Ab initio and density functional theory calculations indicate that a benzene dication isomer (1: C6H62=) with three contiguous planar tetracoordinate carbons is at a minimum on the potential energy surface. The remarkable preference for the planar structure for 1 is traced to the aromatic stabilization present in the three membered ring formed by the three planar tetracoordinate carbon atoms.
Publication Year: 2004
Publication Date: 2004-02-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 44
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