Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F21%3A43922497" target="_blank" >RIV/60461373:22340/21:43922497 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/21:00537137

Výsledek na webu

<a href="https://pubs.rsc.org/en/content/articlelanding/2021/CP/D0CP05390B" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2021/CP/D0CP05390B</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d0cp05390b" target="_blank" >10.1039/d0cp05390b</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters

Popis výsledku v původním jazyce

The combination of supersonic expansions with IR action spectroscopy techniques is the basis of many successful approaches to study cluster structure and dynamics. The effects of temperature and temperature evolution are important with regard to both the cluster synthesis and the cluster dynamics upon IR excitation. In the past the combination of the sodium doping technique with IR excitation enhanced near threshold photoionization has been successfully applied to study neutral, especially water clusters. In this work we follow an overall examination approach for inspecting the interplay of cluster temperature and cluster structure in the initial cooling process and in the IR excitation induced heating of the clusters. In molecular simulations, we study the temperature dependent photoionization spectra of the sodium doped clusters and the evaporative cooling process by water molecule ejection at the cluster surface. We present a comprehensive analysis that provides constraints for the temperature evolution from the nozzle to cluster detection in the mass spectrometer. We attribute the IR action effect to the strong temperature dependence of sodium solvation in the IR excited clusters and we discuss the effects of geometry changes during the IR multi-photon absorption process with regard to application prospects of the method.

Název v anglickém jazyce

Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters

Popis výsledku anglicky

The combination of supersonic expansions with IR action spectroscopy techniques is the basis of many successful approaches to study cluster structure and dynamics. The effects of temperature and temperature evolution are important with regard to both the cluster synthesis and the cluster dynamics upon IR excitation. In the past the combination of the sodium doping technique with IR excitation enhanced near threshold photoionization has been successfully applied to study neutral, especially water clusters. In this work we follow an overall examination approach for inspecting the interplay of cluster temperature and cluster structure in the initial cooling process and in the IR excitation induced heating of the clusters. In molecular simulations, we study the temperature dependent photoionization spectra of the sodium doped clusters and the evaporative cooling process by water molecule ejection at the cluster surface. We present a comprehensive analysis that provides constraints for the temperature evolution from the nozzle to cluster detection in the mass spectrometer. We attribute the IR action effect to the strong temperature dependence of sodium solvation in the IR excited clusters and we discuss the effects of geometry changes during the IR multi-photon absorption process with regard to application prospects of the method.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA18-16577S" target="_blank" >GA18-16577S: Kapky, led a aerosoly in silico: kombinace ab initio a klasických postupů</a><br>

Návaznosti

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

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

—

Svazek periodika

23

Číslo periodika v rámci svazku

13

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

7682-7695

Kód UT WoS článku

000646815600046

EID výsledku v databázi Scopus

2-s2.0-85103969053