Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H{sub 2}O

Journal Article · Wed Jan 07 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4904273· OSTI ID:22415459

Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P. ^[1]; Žitnik, M.; Bučar, K. ^[2]; Nakano, M. ^[3]; Hikosaka, Y. ^[4]; Ito, K. ^[5]

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1. Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, Sorbonne Université, UPMC University Paris 6, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)
2. Jozef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana (Slovenia)
3. Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan)
4. Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan)
5. Institute of Materials Structure Science, Photon Factory, Tsukuba, Ibaraki 305-0801 (Japan)

We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K{sup −2}V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K{sup −2}V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics.

• OSTI ID: 22415459
• Journal Information: Journal of Chemical Physics, Vol. 142, Issue 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
COMPARATIVE EVALUATIONS
CROSS SECTIONS
EXCITATION
K SHELL
MOLECULES
PHOTOIONIZATION
PHOTONS
RESOLUTION
RESONANCE
SYMMETRY
SYNCHROTRON RADIATION
VALENCE
WATER