Bond alternation in double-layer [18]annulenophane

被引：0
|
作者：
Kataoka, M
机构：
[1] Tohoku College of Pharmacy, Sendai 981, Komatsushima 4-4-1, Aoba-ku
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1996年 / 370卷 / 01期
关键词：
18]annulenophane; pseudo Jahn-Teller distortion;
D O I：
10.1016/S0166-1280(96)04671-4
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 C-C bond distortion in double-layer [18]annulenophane has been examined by use of the symmetry rule based on the pseudo Jahn-Teller theory and on the semiempirical Pariser-Parr-Pople-type model calculation. It has been predicted that double-layer [18]annulenophane undergoes out-of-phase bond alternation, which is attributed to the transannular interaction between the two [18]annulene subsystems.
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页码：51 / 53
页数：3
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