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...

Full description

Bibliographic Details
Main Author: Gómez-Zavaglia, A. (author)
Other Authors: Reva, I. D. (author), Frija, L. (author), Cristiano, Maria Lurdes Santos (author), Fausto, R. (author)
Format: article
Language:eng
Published: 2014
Subjects:
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
Online Access:http://hdl.handle.net/10400.1/4265
Country:Portugal
Oai:oai:sapientia.ualg.pt:10400.1/4265

Internet

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

Similar Items