Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F11%3A00360624" target="_blank" >RIV/61388955:_____/11:00360624 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22340/11:43872858
Result on the web
<a href="http://dx.doi.org/10.1039/C1CP20674E" target="_blank" >http://dx.doi.org/10.1039/C1CP20674E</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C1CP20674E" target="_blank" >10.1039/C1CP20674E</a>
Alternative languages
Result language
angličtina
Original language name
Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods
Original language 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 heterocyclicmolecules and complexes. The dimers of the three molecules are also archetypes of different bonding patterns: N?H? interaction, N?HN hydrogen bond and double hydrogen bond. We briefly review available data on photochemistry of the title molecules in thegas 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.
Czech name
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Czech description
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Classification
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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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
13
Issue of the periodical within the volume
26
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
12123-12137
UT code for WoS article
000291885300002
EID of the result in the Scopus database
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