Photochemistry of 1-phenyl-tetrazolone isolated in solid argon

The molecular structure, vibrational spectra, tautomerism and photochemistry of the derivative of tetrazole, 1-phenyl-tetrazolone (C7H6N4O; PT) have been studied by FT-IR matrix isolation spectroscopy and DFT/B3LYP/6-311++G(d,p) calculations. Among the five structures in which PT could be expected t...

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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:
1-Phenyl-tetrazolone
1-Aza-1,2,4,6-cycloheptatetraene
Phenyldiazene
Phenylisocyanate
Azide
Isocyanic acid
Phenylazide
1-Phenyl-1,2-dihydrotetrazete
Tetrazole-ring cleavage
Matrix isolation IR spectroscopy
DFT/B3LYP
6-311++G(d,p) calculations
Photochemical fragmentation
Texto completo:http://hdl.handle.net/10400.1/4265
País:Portugal
Oai:oai:sapientia.ualg.pt:10400.1/4265

Texto Completo

http://hdl.handle.net/10400.1/4265

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