Ultrafast molecular dissociation of water in ice
2004 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 93, no 14, 148302- p.Article in journal (Refereed) Published
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.
IdentifiersURN: urn:nbn:se:kth:diva-40492DOI: 10.1103/PhysRevLett.93.148302ISI: 000224211900080ScopusID: 2-s2.0-19644401044OAI: oai:DiVA.org:kth-40492DiVA: diva2:442979
QC 201109232011-09-232011-09-162011-09-23Bibliographically approved