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

Ye, Lyuzhou; Rouxel, Jérémy R.; Asban, Shahaf; Rösner, Benedikt; Mukamel, Shaul

doi:10.1021/acs.jctc.9b00346

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

Journal Article · Fri May 24 00:00:00 EDT 2019 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.9b00346· OSTI ID:1864802

Ye, Lyuzhou ^[1]; Rouxel, Jérémy R. ^[2]; Asban, Shahaf ^[3]; Rösner, Benedikt ^[4]; ^[3]

Univ. of California, Irvine, CA (United States); University of California, Irvine
Ecole Polytechnique Federale Lausanne (Switzerland); Paul Scherrer Inst. (PSI), Villigen (Switzerland)
Univ. of California, Irvine, CA (United States)
Paul Scherrer Inst. (PSI), Villigen (Switzerland)

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. In this study, 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.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: FG02-04ER15571; SC0019484

OSTI ID:: 1864802

Alternate ID(s):: OSTI ID: 1609511

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 7 Vol. 15; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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