Distinction between homochiral and heterochiral dimers of 1-aza[n]helicenes (n=1-7) with alkaline cations

被引：20
作者：
Alkorta, Ibon [1 ]
Blanco, Fernando [1 ]
Elguero, Jose [1 ]
Schroeder, Detlef [2 ]
机构：
[1] CSIC, Inst Quim Med, E-28006 Madrid, Spain
[2] Acad Sci Czech Republ, Inst Organ Chem & Biochem, CR-16610 Prague 6, Czech Republic
来源：
TETRAHEDRON-ASYMMETRY | 2010年 / 21卷 / 08期
关键词：
RACEMIZATION BARRIERS; CHIRAL RECOGNITION; HELICENES; RESOLUTION;
D O I：
10.1016/j.tetasy.2010.05.032
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A theoretical study of the chiral distinction between the homochiral and heterochiral dimers of the 1-aza[n]helicenes, with n = 1-7, glued with lithium, sodium, and potassium cations has been carried out by means of DFT calculations up to M05-2x/6-311+G(d) computational level. The electronic characteristic of the isolated helicenes has been explored. The chiral distinction is dependent on the size of the helicene and the cation used with the largest values obtained for the 1-aza[6]helicene bound to lithium cation. (C) 2010 Elsevier Ltd. All rights reserved.
引用
收藏
页码：962 / 968
页数：7
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