X-ray circular dichroism signals: a unique probe of local molecular chirality.
نویسندگان
چکیده
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.
منابع مشابه
X-ray circular dichroism signals: a unique probe of local molecular chirality† †Electronic supplementary information (ESI) available: Molecular coordinates, more relevant molecular orbital plots and detailed calculation results. See DOI: 10.1039/c7sc01347g Click here for additional data file.
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عنوان ژورنال:
- Chemical science
دوره 8 9 شماره
صفحات -
تاریخ انتشار 2017