The Chiro-optical Properties of a Lemniscular Octaphyrin

被引：21

作者：

Rzepa, Henry S. ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England

来源：

ORGANIC LETTERS | 2009年 / 11卷 / 14期

关键词：

DENSITY-FUNCTIONAL THEORY; CHIROPTICAL PROPERTIES; CIRCULAR-DICHROISM; ROTATION; TWIST;

D O I：

10.1021/ol901172g

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The match between the calculated TD-DFT electronic circular dichroism spectrum of the M,M configuration of the lemniscular [36]octaphyrin 1 and the previously reported measured spectrum suggests that the assignment of the latter to the P,P enantiomer requires inverting to M,M. The unusually large magnitude of the calculated optical rotations for these species may reflect the aromatic character of the system.

引用

页码：3088 / 3091

页数：4