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Ultrafast molecular dissociation of water in ice
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
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2004 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 93, no 14, 148302- p.Article in journal (Refereed) Published
Abstract [en]

Using x-ray emission and photoemission spectroscopies to measure the occupied valence levels in a thin crystalline ice film, we resolve the ionization-induced dissociation of water in ice on a femtosecond time scale. Isotope substitution confirms proton transfer during the core-hole lifetime in spite of the nonresonant excitation. Through ab initio molecular dynamics on the core-ionized state, the dissociation and spectrum evolution are followed at femtosecond intervals. The theoretical simulations confirm the experimental analysis and allow for a detailed study of the dissociative reaction path.

Place, publisher, year, edition, pages
2004. Vol. 93, no 14, 148302- p.
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Theoretical Chemistry
URN: urn:nbn:se:kth:diva-40492DOI: 10.1103/PhysRevLett.93.148302ISI: 000224211900080ScopusID: 2-s2.0-19644401044OAI: diva2:442979
QC 20110923Available from: 2011-09-23 Created: 2011-09-16 Last updated: 2011-09-23Bibliographically approved

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Brena, Barbara
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