About: Spectroscopic Properties of Benzene at the Air–Ice Interface: A Combined Experimental

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A combined experimental and computational approach was used to study the spectroscopic properties of benzene at the ice–air interface at 253 and 77 K in comparison with its spectroscopic behavior in aqueous solutions. Benzene-contaminated ice samples were prepared either by shock-freezing of benzene aqueous solutions or by benzene vapor-deposition on pure ice grains and examined using UV diffuse reflectance and emission spectroscopies. Neither the absorption nor excitation nor emission spectra provided unambiguous evidence of benzene associates on the ice surface even at a higher surface coverage. Only a small increase in the fluorescence intensity in the region above 290 nm found experimentally might be associated with formation of benzene excimers perturbed by the interaction with the ice surface as shown by ADC(2) excited-state calculations. A combined experimental and computational approach was used to study the spectroscopic properties of benzene at the ice–air interface at 253 and 77 K in comparison with its spectroscopic behavior in aqueous solutions. Benzene-contaminated ice samples were prepared either by shock-freezing of benzene aqueous solutions or by benzene vapor-deposition on pure ice grains and examined using UV diffuse reflectance and emission spectroscopies. Neither the absorption nor excitation nor emission spectra provided unambiguous evidence of benzene associates on the ice surface even at a higher surface coverage. Only a small increase in the fluorescence intensity in the region above 290 nm found experimentally might be associated with formation of benzene excimers perturbed by the interaction with the ice surface as shown by ADC(2) excited-state calculations. (en)
Title	Spectroscopic Properties of Benzene at the Air–Ice Interface: A Combined Experimental–Computational Approach Spectroscopic Properties of Benzene at the Air–Ice Interface: A Combined Experimental–Computational Approach (en)
skos:prefLabel	Spectroscopic Properties of Benzene at the Air–Ice Interface: A Combined Experimental–Computational Approach Spectroscopic Properties of Benzene at the Air–Ice Interface: A Combined Experimental–Computational Approach (en)
skos:notation	RIV/00216224:14310/14:00074347!RIV15-MSM-14310___
http://linked.open...avai/riv/aktivita	I P S
http://linked.open...avai/riv/aktivity	I, P(EE2.3.30.0037), P(GAP208/10/1724), P(GAP208/12/1318), P(GAP503/10/0947), P(LH11021), P(LO1214), S
http://linked.open...iv/cisloPeriodika	35
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Klán, Petr Krausko, Ján Heger, Dominik Malongwe, Joseph K'ekuboni Kania, Rafal Józef
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	46591
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/14:00074347
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ice; snow; benzene; spectroscopy; calculations (en)
http://linked.open.../riv/klicoveSlovo	benzene Ice spectroscopy snow calculations
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[A20BFCF20B33]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Employment of Best Young Scientists for International Cooperation Empowerment Molecular simulation studies of structure and dynamics of ice surfaces in the presence of impurities and atmospheric pollutants Centrum pro výzkum toxických látek v prostředí Implications of photochemical activity of organic pollutants in polar regions Studium vlivu mezimolekulových interakcí na povahu elektronicky excitovaných stavů bází nukleových kyselin Modeling of Electronically Excited States in Nucleic Acids: Combined Theoretical and Experimental Study
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	118
http://linked.open...iv/tvurceVysledku	Gladich, Ivan Klán, Petr Nachtigallová, Dana Roeselová, Martina Heger, Dominik Malongwe, Joseph K'ekuboni Krausko, Ján Kania, Rafal Józef
http://linked.open...ain/vavai/riv/wos	000341337800041
issn	1089-5639
number of pages	13 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp501094n
http://localhost/t...ganizacniJednotka	14310

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