Nonplanar, Noninnocent, and Chiral: A Strongly Saddled Metallocorrole

被引：71
作者：
Alemayehu, Abraham B.
Hansen, Lars Kristian
Ghosh, Abhik [1 ]
机构：
[1] Univ Tromso, Dept Chem, N-9037 Tromso, Norway
来源：
INORGANIC CHEMISTRY | 2010年 / 49卷 / 17期
关键词：
ELECTRONIC ABSORPTION; RESONANCE RAMAN; METAL CENTERS; COPPER; CORROLE; NMR; PORPHYRINS; COMPLEXES; IRON(IV); INNOCENT;
D O I：
10.1021/ic1008736
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The first crystal structure of a copper beta-octabromo-meso-triarylcorrole exhibits a uniquely saddled corrole macrocycle, where adjacent pyrrole rings are tilted relative to each other by 60-80 degrees. Such strong nonplanarity may be contrasted with the essentially planar macrocycle conformations observed in the vast majority of metallocorrole crystal structures. Density functional theory calculations suggest that two effects, ligand noninnocence and peripheral overcrowding, acting in concert, are responsible for the unique, observed conformation.
引用
收藏
页码：7608 / 7610
页数：3
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