About: Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In this perspective article, we focus on the photochemistry of five-membered nitrogen containing heterocycles (pyrrole, imidazole and pyrazole) in clusters. These heterocycles represent paradigmatic structures for larger biologically active heterocyclic molecules and complexes. The dimers of the three molecules are also archetypes of different bonding patterns: N–Hπ interaction, N–HN hydrogen bond and double hydrogen bond. We briefly review available data on photochemistry of the title molecules in the gas phase, but primarily we focus on the new reaction channels opened upon the complexation with other heterocycles or solvent molecules. Based on ab initio calculations we discuss various possible reactions in the excited states of the clusters: (1) hydrogen dissociation, (2) hydrogen transfer between the heterocyclic units, (3) molecular ring distortion, and (4) coupled electron–proton transfer. In this perspective article, we focus on the photochemistry of five-membered nitrogen containing heterocycles (pyrrole, imidazole and pyrazole) in clusters. These heterocycles represent paradigmatic structures for larger biologically active heterocyclic molecules and complexes. The dimers of the three molecules are also archetypes of different bonding patterns: N–Hπ interaction, N–HN hydrogen bond and double hydrogen bond. We briefly review available data on photochemistry of the title molecules in the gas phase, but primarily we focus on the new reaction channels opened upon the complexation with other heterocycles or solvent molecules. Based on ab initio calculations we discuss various possible reactions in the excited states of the clusters: (1) hydrogen dissociation, (2) hydrogen transfer between the heterocyclic units, (3) molecular ring distortion, and (4) coupled electron–proton transfer. (en)
Title	Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods (en)
skos:prefLabel	Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods (en)
skos:notation	RIV/61388955:_____/11:00360624!RIV12-GA0-61388955
http://linked.open...avai/predkladatel	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/0422), P(GAP208/11/0161), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	26
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Slavíček, Petr Fárník, Michal
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	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	220236
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00360624
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	photochemistry; hydrogen bonded heterocycles; ab initio methods (en)
http://linked.open.../riv/klicoveSlovo	photochemistry ab initio methods hydrogen bonded heterocycles
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[7F2F1E5E0135]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Study of photochemical processes in free nanoparticles of atmospheric and biophysical relevance Dynamicss of Solvated Electrons in Molecular Clusters: Experimental and Theoretical Approach
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	13
http://linked.open...iv/tvurceVysledku	Fárník, Michal Slavíček, Petr
http://linked.open...ain/vavai/riv/wos	000291885300002
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	1463-9076
number of pages	15 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/C1CP20674E
is http://linked.open...avai/riv/vysledek of	Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods

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