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

Result code in 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>
Alternative codes found
RIV/61388963:_____/11:00369517 RIV/00216224:14310/11:00050097
Result on the web
<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>

Result language
angličtina
Original language name
Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined ExperimentalComputational Approach
Original language description
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.
Czech name
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Czech description
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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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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
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

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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