Vibrational and electronic circular dichroism of Δ-TRISPHAT [tris(tetrachlorobenzenediolato)-phosphate(V)] anion

被引：21

作者：

Bas, D

Bürgi, T

Lacour, J

Vachon, J

Weber, J

机构：

[1] Univ Neuchatel, Inst Chim, CH-2000 Neuchatel, Switzerland

[2] Univ Geneva, Dept Chim Organ, CH-1211 Geneva, Switzerland

[3] Univ Geneva, Dept Chim Phys, CH-1211 Geneva, Switzerland

来源：

CHIRALITY | 2005年 / 17卷

关键词：

Delta-TRISPHAT anion; X-ray crystallography; CD properties; DFT; VCD;

D O I：

10.1002/chir.20131

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Herein is reported an experimental and theoretical study of the circular dichroism properties of TRISPHAT (1) anion. ECD analysis of the [tetramethylammonium] [Delta-1] salt confirms the absolute configuration assignment obtained through X-ray crystallographic analysis of the parent cinchonidium salt. The structure, infrared, and vibrational circular dichroism (VCD) spectra derived from density functional theory (DFT) calculations are compared with experimental data. (c) 2005 Wiley-Liss, Inc.

引用

页码：S143 / S148

页数：6

共 67 条

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