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

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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

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Publication details

The article was received on 27 Mar 2017, accepted on 23 Jun 2017 and first published on 26 Jun 2017


Article type: Edge Article
DOI: 10.1039/C7SC01347G
Citation: Chem. Sci., 2017, Advance Article
  • Open access: Creative Commons BY-NC license
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    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, Advance Article , DOI: 10.1039/C7SC01347G

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