Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

Li, Zheng; Vendrell, Oriol

doi:10.1063/1.4939897

Title: Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

Journal Article · Wed Jan 13 00:00:00 EST 2016 · Structural Dynamics

DOI:https://doi.org/10.1063/1.4939897· OSTI ID:1312740

Li, Zheng ^[1]; Vendrell, Oriol ^[2]

Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Hamburg (Germany)

The ultrafast nuclear and electronic dynamics of protonated water clusters H+(H2O)n after extreme ultraviolet photoionization is investigated. In particular, we focus on cluster cations with n = 3, 6, and 21. Upon ionization, two positive charges are present in the cluster related to the excess proton and the missing electron, respectively. A correlation is found between the cluster's geometrical conformation and initial electronic energy with the size of the final fragments produced. As a result, for situations in which the electron hole and proton are initially spatially close, the two entities become correlated and separate in a time-scale of 20 to 40 fs driven by strong non-adiabatic effects.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1312740

Journal Information:: Structural Dynamics, Vol. 3, Issue 4; ISSN 2329-7778

Publisher:: American Crystallographic Association/AIPCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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