MNDO treatment of the Huckel and Mobius types of cyclacenes

被引：57

作者：

Turker, L ^{[1
]}

机构：

[1] Middle E Tech Univ, Dept Chem, TR-06531 Ankara, Turkey

来源：

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE | 1998年 / 454卷 / 01期

关键词：

cyclacenes; Mobius cyclacenes; Huckel cyclacenes;

D O I：

10.1016/S0166-1280(98)00232-2

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：

The Mobius-type cyclacenes with benzenoid rings of 8-14 are compared with the corresponding Huckel types in terms of various properties which are estimated within the framework of MNDO calculations. It has been found that, although in the homologous series of the Huckel types certain properties are dictated by the cryptoannulenic effect, they are only partly dependent on this effect in the case of Mobius cyclacenes. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：83 / 86

页数：4

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