Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/61989100:27240/11:86076580

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation

Popis výsledku anglicky

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.

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/ED2.1.00%2F03.0058" target="_blank" >ED2.1.00/03.0058: Regionální centrum pokročilých technologií a materiálů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

The Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Svazek periodika

134

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

084305-1-084305-7

Kód UT WoS článku

000287811300020

EID výsledku v databázi Scopus

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