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

J Chem Phys. 2012 May 7;136(17):174117. doi: 10.1063/1.4706899.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation*
  • Electrons*
  • Nitrogen / chemistry*
  • Oxygen / chemistry*
  • Spectrum Analysis, Raman*
  • Vibration
  • X-Rays

Substances

  • Nitrogen
  • Oxygen