Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses.

J Chem Theory Comput

Department of Chemistry and Department of Physics and Astronomy , University of California, Irvine , California 92697 , United States.

Published: July 2019

A twisted X-ray beam with orbital angular momentum is employed in a theoretical study to probe molecular chirality. A nonlocal response description of the matter-field coupling is adopted to account for the field short wavelength and the structured spatial profile. We use the minimal-coupling Hamiltonian, which implicitly takes into account the multipole contributions to all orders. The combined interactions of the spin and orbital angular momentum of the X-ray beam give rise to circular-helical dichroism signals, which are stronger than ordinary circular dichroism signals, and may serve as a useful tool for the study of molecular chirality in the X-ray regime.

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http://dx.doi.org/10.1021/acs.jctc.9b00346DOI Listing

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