Photodissociation of medium-sized argon cluster cations in the visible region
Result description
Semiclassical methods for non-adiabatic dynamics simulations, based on a semiempirical diatomics-in-molecules model of intracluster interactions and the mean-field dynamical approach with the inclusion of quantum decoherence, have been used to study thephotodissociation of argon cluster cations, Ar-N(+)(N = 6-19), at E-phot = 2.35 eV. Time periods upto t = 200 ps have been considered and abundance of ionic and neutral fragments, their time evolution and stability have been investigated and compared with available experimental data as well as earlier theoretical studies. A good agreement has been achieved between our predictions and the experimental data and deviations from earlier dynamical calculations are discussed.
Keywords
PHOTOEXCITATIONPHOTOFRAGMENTATIONDIMAR-3(+)IONIC CLUSTERSDECAY DYNAMICSAR-N(+) CLUSTERSNEUTRAL FRAGMENTSMOLECULAR-DYNAMICSRARE-GAS CLUSTERS
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/61989100:27740/15:86094705
Result on the web
http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP05257B#!divAbstract
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Photodissociation of medium-sized argon cluster cations in the visible region
Original language description
Semiclassical methods for non-adiabatic dynamics simulations, based on a semiempirical diatomics-in-molecules model of intracluster interactions and the mean-field dynamical approach with the inclusion of quantum decoherence, have been used to study thephotodissociation of argon cluster cations, Ar-N(+)(N = 6-19), at E-phot = 2.35 eV. Time periods upto t = 200 ps have been considered and abundance of ionic and neutral fragments, their time evolution and stability have been investigated and compared with available experimental data as well as earlier theoretical studies. A good agreement has been achieved between our predictions and the experimental data and deviations from earlier dynamical calculations are discussed.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
17
Issue of the periodical within the volume
48
Country of publishing house
GB - UNITED KINGDOM
Number of pages
12
Pages from-to
32413-32424
UT code for WoS article
000365954700038
EID of the result in the Scopus database
2-s2.0-84948844905
Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CF - Physical chemistry and theoretical chemistry
Year of implementation
2015