Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined ExperimentalComputational Approach

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F11%3A10099099" target="_blank" >RIV/00216208:11310/11:10099099 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/11:00369517 RIV/00216224:14310/11:00050097

Výsledek na webu

<a href="http://pubs.acs.org/doi/pdf/10.1021/jp205627a" target="_blank" >http://pubs.acs.org/doi/pdf/10.1021/jp205627a</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp205627a" target="_blank" >10.1021/jp205627a</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined ExperimentalComputational Approach

Popis výsledku v původním jazyce

A combined experimental-computational approach was used to study the self-organization of 1-methylnaphthalene deposited on the surface of artificial snow grains. Fluorescence spectroscopy, in combination with MD simulations, DFT and CC2 calculations provided evidence for the occurrence of ground- and excited-state complexes. The formation of excimers is favored at higher surface loadings, albeit still being below monolayer coverage. The calculations of excited states of monomer and associated moieties suggested that a parallel-displaced arrangement is responsible for the excimer emission observed experimentally, although some other associations, such as T-shape structures, which do not provide excimer emission, can still be relatively abundant. 1MN molecules, deposited on the ice surface covered by a relatively flexible quasi liquid layer at 238 K, are then assumed to be capable of dynamic motion resulting in the formation of energetically preferred associates.

Název v anglickém jazyce

Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined ExperimentalComputational Approach

Popis výsledku anglicky

A combined experimental-computational approach was used to study the self-organization of 1-methylnaphthalene deposited on the surface of artificial snow grains. Fluorescence spectroscopy, in combination with MD simulations, DFT and CC2 calculations provided evidence for the occurrence of ground- and excited-state complexes. The formation of excimers is favored at higher surface loadings, albeit still being below monolayer coverage. The calculations of excited states of monomer and associated moieties suggested that a parallel-displaced arrangement is responsible for the excimer emission observed experimentally, although some other associations, such as T-shape structures, which do not provide excimer emission, can still be relatively abundant. 1MN molecules, deposited on the ice surface covered by a relatively flexible quasi liquid layer at 238 K, are then assumed to be capable of dynamic motion resulting in the formation of energetically preferred associates.

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry A

ISSN

1089-5639

e-ISSN

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Svazek periodika

115

Číslo periodika v rámci svazku

41

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

11412-11422

Kód UT WoS článku

000295700600033

EID výsledku v databázi Scopus

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