The principles of infrared-x-ray pump-probe spectroscopy. Applications on proton transfer in core-ionized water dimers
2005 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 122, no 9, 094319Article in journal (Refereed) Published
In this paper we derive the basic physics underlying infrared-x-ray pump-probe spectroscopy (IR, infrared). Particular features of the spectroscopy are highlighted and discussed, such as dependence on phase of the infrared pulse, duration and delay time of the x-ray pulse, and molecular orientation. Numerical applications are carried out for the water dimer using wave packet techniques. It is shown that core ionization of the donor oxygen of the water dimer results in a drastic change of the potential with the global minimum placed in the proton transfer region. The results of the modeling indicate that IR-x-ray pump-probe spectroscopy can be used to study the dynamics of proton transfer in this core-ionized state, and that, contrary to conventional core level photoelectron spectroscopy, x-ray core-ionization driven by an IR field is a proper method to explore the proton transfer in a system like the water dimer. We observe that the trajectory of the nuclear wave packet in the ground state potential well is strongly affected by the absolute phase of the IR pulse.
Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2005. Vol. 122, no 9, 094319
Dimers, Ionization, Nuclear energy, Protons, Quantum theory, Watersheds
IdentifiersURN: urn:nbn:se:kth:diva-24955DOI: 10.1063/1.1860312ISI: 000227483300040PubMedID: 15836140ScopusID: 2-s2.0-22944466386OAI: oai:DiVA.org:kth-24955DiVA: diva2:354605
QC 201010042010-10-042010-10-042016-07-22Bibliographically approved