The first example of a cage critical point in a single ring:: A novel twisted α-helical ring topology

被引：47

作者：

Castillo, N ^{[1
]}

Matta, CF ^{[1
]}

Boyd, RJ ^{[1
]}

机构：

[1] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 409卷 / 4-6期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/j.cplett.2005.04.088

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：

A type of cage critical point (CCP) that has remained so far only a 'mathematical possibility' is reported for the first time. A CCP enclosed by two ring surfaces is found in a single ring in each of three derivatives of 1,12-difluorobenzo[c]phenanthrene. The two fluorine nuclei are linked by a bond path which results in the closure of a seven-membered ring in the 'bay' region. The crowding of the fluorine atoms forces an alpha-helical (staircase) twisting of the molecule causing the ring surface to split into two giving rise to a CCP. The Poincare-Hopf relationship is satisfied in each case. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：265 / 269

页数：5

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