Double photodetachment of f - ·h 2 o: Experimental and theoretical studies of [f·h 2 o] +

Abhishek Shahi, Laura McCaslin, Yishai Albeck, Robert E. Continetti, R. Benny Gerber, Daniel Strasser*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

Double photodetachment of the cluster F - ·H 2 O in a strong laser field is explored in a combined experimental-theoretical study. Products are observed experimentally by coincidence photofragment imaging following double ionization by intense laser pulses. Theoretically, equation of motion coupled cluster calculations (EOM-CC), suitable for modeling strong correlation effects in the electronic wave function, shed light on the Franck-Condon region, and ab initio molecular dynamics simulations also performed using EOM-CC methods reveal the fragmentation dynamics in time on the lowest-lying singlet and triplet states of [F·H 2 O] + . The simulations show the formation of H 2 O + + F, which is the predominant experimentally observed product channel. Suggestions are proposed for the formation mechanisms of the minor products, for example, the very interesting H 2 F + , which involves significant geometrical rearrangement. Analysis of the results suggests interesting future directions for the exploration of photodetachment of anionic clusters in an intense laser field.

Original languageAmerican English
Pages (from-to)6808-6813
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume9
Issue number23
DOIs
StatePublished - 6 Dec 2018

Bibliographical note

Publisher Copyright:
© 2018 American Chemical Society.

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