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Title: Photochemical Ring-Opening Reaction in 2(1H)-Pyrimidinones: A Matrix Isolation Study
Authors: Lapinski, Leszek 
Rostkowska, Hanna 
Khvorostov, Artem 
Fausto, Rui 
Nowak, Maciej J. 
Issue Date: 7-Aug-2003
Publisher: American Chemical Society
Citation: The Journal of Physical Chemistry A. 107:31 (2003) 5913-5919
Abstract: Photoreactions induced by UV-B (290−320 nm) irradiation were studied for 1-methyl-2(1H)-pyrimidinone and 1-methylcytosine monomers isolated in low-temperature inert gas matrixes. A Norrish type I α-cleavage reaction leading to open-ring conjugated isocyanate was observed for 1-methyl-2(1H)-pyrimidinone. The structure of the photoproduct was identified by comparison of its experimental IR spectrum with the spectrum theoretically calculated at the DFT(B3LYP)/6-31++G(d,p) level. The main indication of isocyanate as a photoproduced species was the appearance in the infrared spectrum recorded after UV irradiation of a very strong band at a characteristic frequency of 2263 cm-1. Observation of a new band at nearly the same frequency in the spectrum of UV-irradiated monomeric 1-methylcytosine may suggest that also in the case of this compound a conjugated isocyanate is photoproduced.
ISSN: 1089-5639
DOI: 10.1021/jp035155i
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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