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X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0003-0007-0394
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2002 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 89, no 13Article in journal (Refereed) Published
Abstract [en]

We use x-ray emission spectroscopy to examine the influence of the intermolecular interaction on the local electronic structure of liquid water. By comparing x-ray emission spectra of the water molecule and liquid water, we find a strong involvement of the a(1)-symmetry valence-orbital in the hydrogen bonding. The local electronic structure of water molecules, where one hydrogen bond is broken at the hydrogen site, is separately determined. Our results provide an illustration of the important potential of x-ray emission spectroscopy for elucidating basic features of liquids.

Place, publisher, year, edition, pages
2002. Vol. 89, no 13
Keyword [en]
core-hole states, scattering spectra, infrared-spectra, ice, excitation, resolution, diffraction, h2o
Identifiers
URN: urn:nbn:se:kth:diva-21905DOI: 10.1103/PhysRevLett.89.137402ISI: 000178071800053OAI: oai:DiVA.org:kth-21905DiVA: diva2:340603
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Luo, YiÅgren, Hans

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