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Title: Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses

Abstract

Expressions for the two-dimensional stimulated x-ray Raman spectroscopy (2D-SXRS) signal obtained using attosecond x-ray pulses are derived. The 1D- and 2D-SXRS signals are calculated for trans-N-methyl acetamide (NMA) with broad bandwidth (181 as, 14.2 eV FWHM) pulses tuned to the oxygen and nitrogen K-edges. Crosspeaks in 2D signals reveal electronic Franck-Condon overlaps between valence orbitals and relaxed orbitals in the presence of the core-hole.

Authors:
; ; ;  [1]
  1. Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)
Publication Date:
OSTI Identifier:
22047205
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 136; Journal Issue: 17; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 74 ATOMIC AND MOLECULAR PHYSICS; ACETAMIDE; NITROGEN; OXYGEN; PULSES; RAMAN EFFECT; RAMAN SPECTROSCOPY; X RADIATION; X-RAY SPECTRA

Citation Formats

Biggs, Jason D, Yu, Zhang, Healion, Daniel, and Mukamel, Shaul. Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses. United States: N. p., 2012. Web. doi:10.1063/1.4706899.
Biggs, Jason D, Yu, Zhang, Healion, Daniel, & Mukamel, Shaul. Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses. United States. https://doi.org/10.1063/1.4706899
Biggs, Jason D, Yu, Zhang, Healion, Daniel, and Mukamel, Shaul. Mon . "Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses". United States. https://doi.org/10.1063/1.4706899.
@article{osti_22047205,
title = {Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses},
author = {Biggs, Jason D and Yu, Zhang and Healion, Daniel and Mukamel, Shaul},
abstractNote = {Expressions for the two-dimensional stimulated x-ray Raman spectroscopy (2D-SXRS) signal obtained using attosecond x-ray pulses are derived. The 1D- and 2D-SXRS signals are calculated for trans-N-methyl acetamide (NMA) with broad bandwidth (181 as, 14.2 eV FWHM) pulses tuned to the oxygen and nitrogen K-edges. Crosspeaks in 2D signals reveal electronic Franck-Condon overlaps between valence orbitals and relaxed orbitals in the presence of the core-hole.},
doi = {10.1063/1.4706899},
url = {https://www.osti.gov/biblio/22047205}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 17,
volume = 136,
place = {United States},
year = {2012},
month = {5}
}