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Clar's structure of benzenoid hydrocarbons and six-electron spin correlation ordering in hexagons

✍ Scribed by Hongyao Zhu; Yuansheng Jiang

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 394 KB
Volume: 193
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)85655-t

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✦ Synopsis

A six-electron spin correlation operator is defined. It has been applied to calculate the probability of a six-electron spin alternate arrangement in cata-benzenoid hydrocarbons by using the projective HMO wavefunction. Comparing with previous indices of local aromaticity, a new measure of Clar's aromatic sextet has been obtained from a spin-correlation ordering view.

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