Tetraphenylene Ring Flip Revisited

被引：38

作者：

Bachrach, Steven M. ^{[1
]}

机构：

[1] Trinity Univ, Dept Chem, San Antonio, TX 78212 USA

来源：

JOURNAL OF ORGANIC CHEMISTRY | 2009年 / 74卷 / 09期

关键词：

CYCLOOCTATETRAENE; DENSITY; ENERGY; BARRIERS; GEOMETRY;

D O I：

10.1021/jo900413d

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The ring flip barrier of a series of benzannulated cyclooctatetraenes is investigated at B3LYP and MP2. The ring flip of tetraphenylene proceeds through a nonplanar transition state, contrary to a previous study, with a large barrier of 78.6 kcal mol(-1).

引用

页码：3609 / 3611

页数：3

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