Repozytorium
Wyszukaj
Kolekcje
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
Podobne publikacje
Infrared matrix isolation and theoretical study of methylglyoxal.
Mucha Małgorzata, Sałdyka Magdalena, Mielke Zofia
The S–H···N versus O–H···N hydrogen bonding in the ammonia complexes with CH3OH and CH3SH.
Grzechnik Katarzyna, Rutkowski Konstanty, Mielke Zofia