Dynamic interpretation of resonant x-ray Raman scattering: Ethylene and benzene

Journal Article · Sat Sep 15 04:00:00 EDT 2007 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.76.032505· OSTI ID:21015965

Hennies, F; Pietzsch, A; Wurth, W; Foehlisch, A ^[1]; Polyutov, S; Minkov, I; Aagren, H; Gel'mukhanov, F ^[2]; Nagasono, M ^[1]; Triguero, L ^[3]; Piancastelli, M -N ^[4]

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1. Institut fuer Experimentalphysik, Universitaet Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)
2. Theoretical Chemistry, Royal Institute of Technology, AlbaNova University Center, 106 91 Stockholm (Sweden)
3. KTH Syd, Royal Institute of Technology, Campus Haninge, 136 40 Haninge (Sweden)
4. Department of Physics, Uppsala University, Box 530, 751 21 Uppsala (Sweden)

We present a dynamic interpretation of resonant x-ray Raman scattering where vibrationally selective excitation into molecular resonances has been employed in comparison with excitation into higher lying continuum states for condensed ethylene and benzene as molecular model systems. In order to describe the purely vibrational spectral loss features and coupled electronic and vibrational losses the one-step theory for resonant soft x-ray scattering is applied, taking multiple vibrational modes and vibronic coupling into account. The scattering profile is found to be strongly excitation energy dependent and to reflect the intermediate states dynamics of the scattering process. In particular, the purely vibrational loss features allow one to map the electronic ground state potential energy surface in light of the excited state dynamics. Our study of ethylene and benzene underlines the necessity of an explicit description of the coupled electronic and vibrational loss features for the assignment of spectral features observed in resonant x-ray Raman scattering at polyatomic systems, which can be done in both a time independent and a time dependent picture. The possibility to probe ground state vibrational properties opens a perspective to future applications of this photon-in-photon-out spectroscopy.

• OSTI ID: 21015965
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 3 Vol. 76; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
BENZENE
COMPARATIVE EVALUATIONS
ENERGY DEPENDENCE
ETHYLENE
EXCITATION
GROUND STATES
INTERMEDIATE STATE
PHOTONS
POTENTIAL ENERGY
PROBES
RAMAN EFFECT
RAMAN SPECTRA
RESONANCE
SOFT X RADIATION
SPECTROSCOPY
SURFACES
TIME DEPENDENCE
VIBRATIONAL STATES
X-RAY DIFFRACTION