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Photochemistry of six- and five-membered-ring alpha,beta-unsaturated lactones i...
Fausto, Rui; Breda, Susana; Kus, NihalThe photochemistry of representative six and five-membered alpha,beta-unsaturated lactones [alpha-pyrone and some of its derivatives, including coumarin and 3-acetamidocoumarin, 2(5H)-furanone] isolated in cryogenic inert matrices has been investigated by infrared spectroscopy and quantum chemical calculations. In these types of molecules, two main competitive photochemical reaction pathways could be identified...
FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-Isolat...
Kus, Nihal; Breda, Susana; Reva, Igor; Tasal, Erol; Ogretir, Cemil; Fausto, RuiThe infrared spectrum of monomeric unsubstituted coumarin (C<sub>9</sub>H<sub>6</sub>O<sub>2</sub>; 2 H-1-benzopyran-2-one), isolated in solid argon at 10 K is presented and assigned. The UV-induced ( λ > 200 nm) unimolecular photochemistry of the matrix-isolated compound was studied experimentally. Three main photoreactions were observed: (a) decarboxylation of the compound and formation of benzocyclobutadiene...
FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-isolat...
Kus, Nihal; Breda, Susana; Reva, Igor; Tasal, Erol; Ogretir, Cemil; Fausto, RuiA correction to the article "FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-isolated Coumarin" that was published in the previous issue is presented..
Photochemical alpha-Cleavage in Pyran-2-thione: Generation of Aldehyde-Thiokete...
Breda, Susana; Reva, Igor D.; Lapinski, Leszek; Fausto, RuiNo Abstract ; http://dx.doi.org/10.1002/cphc.200400539
Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-α-pyrones: An...
Breda, Susana; Lapinski, Leszek; Fausto, Rui; Nowak, Maciej J.Photoisomerization reactions were studied for 4-methoxy- and 4-hydroxy-6-methyl-α-pyrones isolated in low-temperature Ar matrices. Two types of photoproducts: Dewar valence isomer and conjugated aldehyde–ketene were photogenerated upon UV irradiation of the matrix-isolated compounds. After prolonged irradiation practically all the initial material was converted to the corresponding Dewar isomers, whereas the po...
Vibrational spectroscopy and ab initio MO study of the molecular structure and ...
Fausto, Rui; Quinteiro, Graciete; Breda, SusanaThe molecular structures and vibrational spectra of the monomeric forms of α- and γ-pyrones were investigated by ab initio MO calculations, undertaken at the HF/6-31G∗ level of theory, and vibrational spectroscopy, including matrix-isolation FTIR spectroscopy. A complete assignment of the vibrational spectra of the studied compounds isolated in an argon matrix, at 8 K, or in the condensed phases, at room temper...
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