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Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods
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SYSNO ASEP 0360624 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods Tvůrce(i) Slavíček, Petr (UFCH-W) RID
Fárník, Michal (UFCH-W) RID, ORCIDZdroj.dok. Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 13, č. 26 (2011), s. 12123-12137Poč.str. 15 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova photochemistry ; hydrogen bonded heterocycles ; ab initio methods Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/09/0422 GA ČR - Grantová agentura ČR GAP208/11/0161 GA ČR - Grantová agentura ČR CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000291885300002 DOI 10.1039/C1CP20674E Anotace 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. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2012
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