Analysis of Molecular Configuration and Conformation by (Electronic and) Vibrational Circular Dichroism: Theoretical Calculation and Exciton Chirality Method

被引：17
作者：
Taniguchi, Tohru [1 ]
机构：
[1] Hokkaido Univ, Fac Adv Life Sci, Frontier Res Ctr Adv Mat & Life Sci, Kita 21 Nishi 11, Sapporo, Hokkaido 0010021, Japan
来源：
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 2017年 / 90卷 / 09期
关键词：
DENSITY-FUNCTIONAL THEORY; COUPLED OSCILLATOR MECHANISM; ABSOLUTE-CONFIGURATION; OPTICAL-ACTIVITY; CHIROPTICAL SPECTROSCOPY; NATURAL-PRODUCTS; OLD CONCEPT; VCD; ACID; SPECTRA;
D O I：
10.1246/bcsj.20170113
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The configuration and conformation of a molecule affect its bioactivity, reactivity, physical properties, etc., but the analysis of such stereostructures is often difficult and time-consuming. Having envisioned the usefulness of VCD (vibrational circular dichroism) spectroscopy and theoretical VCD/ECD (electronic circular dichroism) calculations in the field of natural product chemistry, the author has applied these techniques to various natural products and other organic molecules. This account describes the author's studies on molecular structural analysis by means of VCD/ECD theoretical calculations as well as exciton chirality methods. Advantages and limitations of these techniques are also briefly discussed.
引用
收藏
页码：1005 / 1016
页数：12
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