Absolute configuration of chiral fullerenes and covalent derivatives from their calculated circular dichroism spectra

被引：54

作者：

Goto, H

Harada, N

Crassous, J

Diederich, F

机构：

[1] Tohoku Univ, Inst Chem React Sci, Sendai, Miyagi 9808577, Japan

[2] ETH Zentrum, Organ Chem Lab, CH-8092 Zurich, Switzerland

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1998年 / 08期

关键词：

D O I：

10.1039/a803689f

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The theoretical circular dichroism (CD) spectra of optically active C-60 and C-70 bis-adducts with chiral functionalization patterns and of the enantiomers of inherently chiral D-2-C-76 and its mono-adducts were calculated by the pi-electron SCF-CI-DV MO method. By comparison with the experimental CD spectra, the absolute configurations of these compounds were assigned.

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页码：1719 / 1723

页数：5

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