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https://hdl.handle.net/10316/10678
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. | URI: | https://hdl.handle.net/10316/10678 | ISSN: | 1089-5639 | DOI: | 10.1021/jp035155i | Rights: | openAccess |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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Photochemical Ring-Opening Reaction in 2(1H)-Pyrimidinones.pdf | 131.37 kB | Adobe PDF | View/Open |
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