Electronic structure of möbius annulenes

P. Karadakov, V. Enchev, F. Fratev, O. Castano

Research output: Contribution to journalArticlepeer-review

Abstract

Expressions for the total π-electron energies and charge-bond-order matrices of even Möbius annulenes are derived in the framework of the HMO approximation. Structures with equal bond lengths as well as structures exhibiting bond alternation are considered. A comparison is drawn between even Hückel and Möbius annulenes.
Original languageEnglish
Pages (from-to)529-532
Number of pages4
JournalChemical Physics Letters
Volume83
Issue number3
Publication statusPublished - 3 Nov 1981

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