Nuclear dynamics and spectator effects in resonant inelastic soft x-ray scattering of gas-phase water molecules

Journal Article · Sat Apr 14 04:00:00 EDT 2012 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3702644· OSTI ID:22047196

Weinhardt, Lothar ^[1]; Benkert, Andreas; Meyer, Frank ^[2]; Blum, Monika ^[3]; Wilks, Regan G ^[4]; Yang, Wanli ^[5]; Baer, Marcus ^[3]; Reinert, Friedrich ^[2]; others, and

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1. Institute for Synchrotron Radiation, Karlsruhe Institute of Technology, Hermann-v.-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)
2. Universitaet Wuerzburg, Experimentelle Physik VII, Am Hubland, 97074 Wuerzburg (Germany)
3. Department of Chemistry, University of Nevada, Las Vegas, 4505 Maryland Parkway, Nevada 89154-4003 (United States)
4. Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Solar Energy Research, Hahn-Meitner-Platz 1, 14109 Berlin (Germany)
5. Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)

The electronic structure of gas-phase H{sub 2}O and D{sub 2}O molecules has been investigated using resonant inelastic soft x-ray scattering (RIXS). We observe spectator shifts for all valence orbitals when exciting into the lowest three absorption resonances. Strong changes of the relative valence orbital emission intensities are found when exciting into the different absorption resonances, which can be related to the angular anisotropy of the RIXS process. Furthermore, excitation into the 4a{sub 1} resonance leads to nuclear dynamics on the time scale of the RIXS process; we find evidence for vibrational coupling and molecular dissociation in both, the spectator and the participant emission.

• OSTI ID: 22047196
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 14 Vol. 136; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION
ANISOTROPY
ELECTRONIC STRUCTURE
EXCITATION
HEAVY WATER
SOFT X RADIATION
VIBRATIONAL STATES
X-RAY DIFFRACTION
X-RAY SPECTRA