Issue 9, 2017

X-ray circular dichroism signals: a unique probe of local molecular chirality

Abstract

Core-resonant circular dichroism (CD) signals are induced by molecular chirality and vanish for achiral molecules and racemic mixtures. The highly localized nature of core excitations makes them ideal probes of local chirality within molecules. Simulations of the circular dichroism spectra of several molecular families illustrate how these signals vary with the electronic coupling to substitution groups, the distance between the X-ray chromophore and the chiral center, geometry, and chemical structure. Clear insight into the molecular structure is obtained through analysis of the X-ray CD spectra.

Graphical abstract: X-ray circular dichroism signals: a unique probe of local molecular chirality

Supplementary files

Article information

Article type
Edge Article
Submitted
27 Mar 2017
Accepted
23 Jun 2017
First published
26 Jun 2017
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2017,8, 5969-5978

X-ray circular dichroism signals: a unique probe of local molecular chirality

Y. Zhang, J. R. Rouxel, J. Autschbach, N. Govind and S. Mukamel, Chem. Sci., 2017, 8, 5969 DOI: 10.1039/C7SC01347G

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