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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