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Title: Chirality Retention in Aqueous Propylene Oxide Hydration: Chirality of the Transition State
Authors:
 ;  ;  ;  ;  
Publication Date:
NSF-PAR ID:
10305445
Journal Name:
Israel Journal of Chemistry
ISSN:
0021-2148
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
National Science Foundation
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  1. 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.