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
收藏
页码：265 / 269
页数：5
相关论文
共 25 条
123