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Title: X-ray Raman optical activity of chiral molecules

Abstract

Resonant and off-resonant Raman Optical Activity signals in the X-ray regime (XROA) are predicted. XROA is a chiral-sensitive variant of the spontaneous Resonant Inelastic Scattering (RIXS) signal. Thanks to the highly localized nature of core excitations, these signals provide a direct probe of local chirality with high sensitivity to the molecular structure. We derive sum-over-states expressions for frequency domain XROA signals and apply them to tyrosine at the nitrogen and oxygen K-edges. Time-resolved extensions of ROA made possible by using additional pulses are briefly outlined.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]
+ Show Author Affiliations
  1. Ecole Polytechnique Fédérale de Lausanne, Laboratoire de Spectroscopie Ultrarapide, Faculté des Sciences de Base, ISIC-BSP, CH-1015 Lausanne
  2. PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, USA
  3. Department of Chemistry, University of California, Irvine, USA, Department of Physics and Astronomy
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1481432
Alternate Identifier(s):
OSTI ID: 1503547
Grant/Contract Number:  
FG02-04ER15571; AC02-76SF00515; CHE-1663822
Resource Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science Journal Volume: 10 Journal Issue: 3; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Rouxel, Jérémy R., Zhang, Yu, and Mukamel, Shaul. X-ray Raman optical activity of chiral molecules. United Kingdom: N. p., 2019. Web. doi:10.1039/C8SC04120B.
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Rouxel, Jérémy R., Zhang, Yu, & Mukamel, Shaul. X-ray Raman optical activity of chiral molecules. United Kingdom. https://doi.org/10.1039/C8SC04120B
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Rouxel, Jérémy R., Zhang, Yu, and Mukamel, Shaul. Wed . "X-ray Raman optical activity of chiral molecules". United Kingdom. https://doi.org/10.1039/C8SC04120B.
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@article{osti_1481432,
title = {X-ray Raman optical activity of chiral molecules},
author = {Rouxel, Jérémy R. and Zhang, Yu and Mukamel, Shaul},
abstractNote = {Resonant and off-resonant Raman Optical Activity signals in the X-ray regime (XROA) are predicted. XROA is a chiral-sensitive variant of the spontaneous Resonant Inelastic Scattering (RIXS) signal. Thanks to the highly localized nature of core excitations, these signals provide a direct probe of local chirality with high sensitivity to the molecular structure. We derive sum-over-states expressions for frequency domain XROA signals and apply them to tyrosine at the nitrogen and oxygen K-edges. Time-resolved extensions of ROA made possible by using additional pulses are briefly outlined.},
doi = {10.1039/C8SC04120B},
journal = {Chemical Science},
number = 3,
volume = 10,
place = {United Kingdom},
year = {2019},
month = {1}
}
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https://doi.org/10.1039/C8SC04120B
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