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

Bas, Delphine; Bürgi, Thomas; Lacour, Jerôme; Vachon, Jerôme; Weber, Jacques

doi:10.1002/chir.20131

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

Author(s)

Bas, Delphine

Bürgi, Thomas

Lacour, Jerôme

Vachon, Jerôme

Weber, Jacques

Date issued

2005

In

Chirality, 2005/17/S143-S148

Subjects

Δ-TRISPHAT anion X-ray crystallography CD properties DFT VCD

Abstract

Herein is reported an experimental and theoretical study of the circular dichroism properties of TRISPHAT (<b>1</b>) anion. ECD analysis of the [tetramethylammonium][Δ-<b>1</b>] 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.