Double photoionization and dication fragmentation of CF3I: Experiment and theory
2008 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 128, no 23, 234303- p.Article in journal (Refereed) Published
The double photoionization of CF3I and the electronic structure and the dissociation dynamics of the CF3I++ dication have been investigated using large ab initio calculations and coincidence techniques. The double photoionization spectrum of CF3I consists of a continuous background with a number of narrow bands superimposed. The spectrum is attributed here to the population of groups of close lying electronic states interacting mutually by spin-orbit, spin-spin, and rovibronic couplings. At energies near the vertical double ionization threshold, CF3++I+ ionic fragments are produced. At higher energies, a very specific dissociation with double charge retained on one fragment, CF3I++-> , CF2I+++F becomes dominant and is attributed to a specific group of dication electronic states.
Place, publisher, year, edition, pages
2008. Vol. 128, no 23, 234303- p.
IdentifiersURN: urn:nbn:se:uu:diva-106247DOI: 10.1063/1.2937901ISI: 000256936700011OAI: oai:DiVA.org:uu-106247DiVA: diva2:224312