Infrared spectrum and UV-induced photochemistry of matrix-isolated 5-methoxy-1-phenyl-1H-tetrazole

The molecular structure, vibrational spectra and photochemistry of 5-methoxy-1-phenyl-1H-tetrazole (5MPT) were studied by matrix isolation infrared spectroscopy and DFT(B3LYP)/6-311++G(d,p) calculations. According to the calculations, only one double degenerated-by-symmetry minimum exists in the gro...

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Detalhes bibliográficos
Autor principal: Gómez-Zavaglia, A. (author)
Outros Autores: Reva, I. D. (author), Frija, L. (author), Cristiano, Maria Lurdes Santos (author), Fausto, R. (author)
Formato: article
Idioma:eng
Publicado em: 2014
Assuntos:
5-Methoxy-1-phenyl-1H-tetrazole
3-Methoxy-1-phenyl-1H-diazirene
Phenylazide
Methylcyanate
1-Aza-1,2,4,6-cycloheptatetraene
Matrix isolation IR spectroscopy
Tetrazole ring cleavage
DFT(B3LYP)/6-311++G(d,p) calculations
Texto completo:http://hdl.handle.net/10400.1/4253
País:Portugal
Oai:oai:sapientia.ualg.pt:10400.1/4253

Texto Completo

http://hdl.handle.net/10400.1/4253

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