Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F11%3A10218260" target="_blank" >RIV/61989592:15310/11:10218260 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27240/11:86076580
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation
Original language description
The photodissociation dynamics of the argon ionized trimer Ar3+ is revisited in the light of recent experimental results of Lep?re et al. [J. Chem. Phys. 134, 194301 (2009)], which show that the fragment with little kinetic energy is always a neutral one, thus the available energy is shared by a neutral and ionic fragments as in Ar2+. We show that these results can be interpreted as the photodissociation of the linear isomer of the system. We perform a 3D quantum computation of the vibrational spectrumof the system and study the relative populations of the linear (trimer-core) and perpendicular (dimer-core) isomers. We then show that the charge initially located on the central atom in the ground electronic state of the linear isomer migrates toward the extreme ones in the photoexcitation process such that photodissociation of the linear isomer produces a neutral central atom at rest in agreement with measured product state distributions.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - 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
<a href="/en/project/ED2.1.00%2F03.0058" target="_blank" >ED2.1.00/03.0058: Regional Centre of Advanced Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
The Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
134
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
084305-1-084305-7
UT code for WoS article
000287811300020
EID of the result in the Scopus database
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