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Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: Assignment of the local molecular orbital symmetry
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2012 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 136, no 4, 044517- p.Article in journal (Refereed) Published
Abstract [en]

The polarization dependence of the split two peaks in the lone-pair region in the x-ray emission spectra has been determined at several different excitation energies for both D2O and H2O water. In contrast to predictions based on a narrow range of local water structures where the two peaks would be of different molecular orbital symmetry and arise from, respectively, intact and dissociated molecules, we show that the two peaks in the lone-pair region are both of lone-pair 1b(1) orbital symmetry. The results support the interpretation that the two peaks appear due to fluctuations between two distinct different main structural environments.

Place, publisher, year, edition, pages
2012. Vol. 136, no 4, 044517- p.
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Physical Chemistry
URN: urn:nbn:se:su:diva-76342DOI: 10.1063/1.3678443ISI: 000299793700051OAI: diva2:526405
8Available from: 2012-05-11 Created: 2012-05-10 Last updated: 2012-05-11Bibliographically approved

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Pettersson, Lars G.M.
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