On the competition between linear and perpendicular isomers in photodynamics of cationic argon trimers

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27240%2F12%3A86084403" target="_blank" >RIV/61989100:27240/12:86084403 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/12:86084403

Výsledek na webu

<a href="http://dx.doi.org/10.1063/1.4770228" target="_blank" >http://dx.doi.org/10.1063/1.4770228</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4770228" target="_blank" >10.1063/1.4770228</a>

Jazyk výsledku

angličtina

Název v původním jazyce

On the competition between linear and perpendicular isomers in photodynamics of cationic argon trimers

Popis výsledku v původním jazyce

Photoabsorption and subsequent photodissociation of two structural isomers of Ar3+ are studied via semiclassical non-adiabatic dynamics simulations. Several experimental observables are simulated under various plausible experimental conditions with the main emphasis on the differences between the data produced for the two isomers. They include photoabsorption cross section, total kinetic energy released, fragments kinetic energy distributions, and distribution of the total kinetic energy among photofragments represented via Dalitz plots. The ability of the parameters to discriminate between the two isomers is analyzed through a thorough comparison with available experimental data. We show that the recently recorded experimental Dalitz plots [V. Lep?re,Y. J. Picard, M. Barat, J. A. Fayeton, B. Lucas, and K. Béroff, J. Chem. Phys. 130, 194301 (2009)] correspond to a hot mixture of distorted linear-like and perpendicular-like structures where linear-like structures prevail.

Název v anglickém jazyce

On the competition between linear and perpendicular isomers in photodynamics of cationic argon trimers

Popis výsledku anglicky

Photoabsorption and subsequent photodissociation of two structural isomers of Ar3+ are studied via semiclassical non-adiabatic dynamics simulations. Several experimental observables are simulated under various plausible experimental conditions with the main emphasis on the differences between the data produced for the two isomers. They include photoabsorption cross section, total kinetic energy released, fragments kinetic energy distributions, and distribution of the total kinetic energy among photofragments represented via Dalitz plots. The ability of the parameters to discriminate between the two isomers is analyzed through a thorough comparison with available experimental data. We show that the recently recorded experimental Dalitz plots [V. Lep?re,Y. J. Picard, M. Barat, J. A. Fayeton, B. Lucas, and K. Béroff, J. Chem. Phys. 130, 194301 (2009)] correspond to a hot mixture of distorted linear-like and perpendicular-like structures where linear-like structures prevail.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/ED1.1.00%2F02.0070" target="_blank" >ED1.1.00/02.0070: Centrum excelence IT4Innovations</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

—

Svazek periodika

137

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

"Article number 234308"

Kód UT WoS článku

000312780300025

EID výsledku v databázi Scopus

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