NON-SUPERAROMATIC REFERENCE DEFINED BY GRAPH-THEORY FOR A SUPER-RING MOLECULE

被引：39

作者：

AIHARA, J

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1995年 / 91卷 / 02期

关键词：

D O I：

10.1039/ft9959100237

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Aromaticity arising from a super-ring structure in a super-ring molecule may be referred to as superaromaticity. A secular determinant can be defined by graph theory for the non-superaromatic reference of any super-ring molecule. Superaromatic stabilization energy can now be evaluated exactly. It was confirmed that kekulene and cyclic polyacenes are essentially non-superaromatic with negligibly small percentage superaromatic stabilization energies.

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页码：237 / 239

页数：3

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