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Inne
Conformational properties and photochemistry of tetrazolylpyridines in low temperature matrices. Spectroscopic evidence for the photochemical carbon-to-nitrogen rearrangement.
Autorzy
Rok wydania
2011
Czasopismo
Numer woluminu
67
Strony
8572-8582
DOI
10.1016/j.tet.2011.08.055
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The most stable conformers of 2-(tetrazol-1-yl)-, 3-(tetrazol-1-yl)- and 2-(tetrazol-5-yl)pyridines undergo photolysis in Ar matrices at cryogenic temperatures to yield pyridin-2-ylcarbodiimide or pyridin-3-ylcarbodiimide. Spectroscopic evidence of carbon-to-nitrogen rearrangement in the case of the 2-(tetrazol-5-yl)pyridine molecule is provided. For the latter molecule a second pathway leads to the 1-cyclopenta-2,4-dienylketenimine formation. The experimental findings are supported by extensive B3LYP/6-311++G(2d,2p) calculations.
Słowa kluczowe
Tetrazole, Photolysis, Matrix isolation, Carbon-to-nitrogen rearrangement, infrared spectra, B3LYP calculations
Adres publiczny
https://doi.org/10.1016/j.tet.2011.08.055
Strona internetowa wydawcy
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