ECD Cotton Effect Approximated by the Gaussian Curve and Other Methods

被引：543

作者：

Stephens, Philip J. ^{[2
]}

Harada, Nobuyuki ^{[1
]}

机构：

[1] Columbia Univ, Dept Chem, New York, NY 10027 USA

[2] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA

来源：

CHIRALITY | 2010年 / 22卷 / 02期

关键词：

ECD Cotton effect; rotational strength; Gaussian curve; 1/e-bandwidth; half the bandwidth at 1/e peak height; ELECTRONIC CIRCULAR-DICHROISM; DENSITY-FUNCTIONAL THEORY; OPTICAL-ROTATION; ABSOLUTE-CONFIGURATION; NATURAL-PRODUCTS; CHIROPTICAL PROPERTIES; SPECTRA; ABSORPTION;

D O I：

10.1002/chir.20733

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

To determine the absolute configuration of chiral compounds, theoretical calculations of ECD spectra have been extensively carried out, where the shape of component CD Cotton effects was approximated by the Gaussian distribution curve. However, in some articles, errors are found in the equations of Gaussian curve expressing CD Cotton effects. In this short review, the correct and general forms of the Gaussian equation and the approximation of the CD curve by other methods are described. Chirality 22:229-233, 2010. (C) 2009 Wiley-Liss, Inc.

引用

页码：229 / 233

页数：5

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