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金属卟吩作为固有手性发色团:一种钨双卟吩的拆分及电子圆二色光谱

Metallocorroles as inherently chiral chromophores: resolution and electronic circular dichroism spectroscopy of a tungsten biscorrole.

作者信息

Schies Christine, Alemayehu Abraham B, Vazquez-Lima Hugo, Thomas Kolle E, Bruhn Torsten, Bringmann Gerhard, Ghosh Abhik

机构信息

Institute of Organic Chemistry, University of Würzburg, 97074 Würzburg, Germany.

出版信息

Chem Commun (Camb). 2017 Jun 1;53(45):6121-6124. doi: 10.1039/c7cc02027a.

Abstract

An inherently chiral metallocorrole has been resolved for the first time by means of HPLC on a chiral stationary phase. For the compound in question, a homoleptic tungsten biscorrole, the absolute configurations of the enantiomers were assigned using online HPLC-ECD measurements in conjunction with time-dependent CAM-B3LYP calculations, which provided accurate simulations of the ECD spectra.

摘要

一种具有固有手性的金属卟吩首次通过在手性固定相上的高效液相色谱法拆分。对于所讨论的化合物,一种均配型钨双卟吩,对映体的绝对构型通过在线高效液相色谱-电子圆二色光谱测量结合含时的CAM-B3LYP计算来确定,该计算提供了电子圆二色光谱的准确模拟。

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