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

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

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 prot...

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Main Authors: Zheng Li, Oriol Vendrell
Format: Article
Language:English
Published: AIP Publishing LLC and ACA 2016-07-01
Series:Structural Dynamics
Online Access:http://dx.doi.org/10.1063/1.4939897
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spelling doaj-1da03dcd5c8340b8a86540b1f12d15202020-11-25T01:10:57ZengAIP Publishing LLC and ACAStructural Dynamics2329-77782016-07-0134043203043203-1310.1063/1.4939897009693SDYCorrelated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionizationZheng Li0Oriol Vendrell1 Center for Free-Electron Laser Science, DESY, Notkestraße 85, D-22607 Hamburg, Germany Center for Free-Electron Laser Science, DESY, Notkestraße 85, D-22607 Hamburg, GermanyThe 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. 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.http://dx.doi.org/10.1063/1.4939897
collection DOAJ
language English
format Article
sources DOAJ
author Zheng Li
Oriol Vendrell
spellingShingle Zheng Li
Oriol Vendrell
Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
Structural Dynamics
author_facet Zheng Li
Oriol Vendrell
author_sort Zheng Li
title Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
title_short Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
title_full Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
title_fullStr Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
title_full_unstemmed Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
title_sort correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization
publisher AIP Publishing LLC and ACA
series Structural Dynamics
issn 2329-7778
publishDate 2016-07-01
description 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. 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.
url http://dx.doi.org/10.1063/1.4939897
work_keys_str_mv AT zhengli correlatedprotonelectronholedynamicsinprotonatedwaterclustersuponextremeultravioletphotoionization
AT oriolvendrell correlatedprotonelectronholedynamicsinprotonatedwaterclustersuponextremeultravioletphotoionization
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