Repozytorium
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Kolekcje
Inne
Photochemical transformations of 5-methyltetrazole. Matrix isolation FTIR and DFT studies.
Autorzy
Rok wydania
2014
Czasopismo
Journal of Photochemistry and Photobiology A-Chemistry
Numer woluminu
277
Strony
37-44
DOI
10.1016/j.jphotochem.2013.12.011
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
In situ photolysis of 5-methyltetrazole (MT) isolated in low temperature argon matrices was induced by tunable UV laser radiation. The progress of the reactions was followed by FTIR spectroscopy that allowed for spectroscopic identification of three photoproducts resulting from the MT ring cleavage, namely C-methylnitrilimine CH3CNNH, N-methylcarbodiimide CH3NCNH, methylcyanamide CH3NHCN. The kinetic profiles obtained for these products show different behavior of the species in the course of irradiation. The N-methylcarbodiimide molecules were found to decompose further into two HCN or HNC molecules that interact in the matrix cages to form different hydrogen bonded dimers. Interpretation of the observed photoprocesses was supported by quantum chemical calculations (DFT, TD-DFT).
Słowa kluczowe
Tetrazole ring cleavage, Tunable laser photochemistry, Methylcarbodiimide, Methylnitrilimine, Methylcyanamide, Hydrogen cyanide
Adres publiczny
http://dx.doi.org/10.1016/j.jphotochem.2013.12.011
Strona internetowa wydawcy
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