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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Bibliographic Details
Main Author: Gómez-Zavaglia, Andrea (author)
Other Authors: Reva, I. D. (author), Frija, L. (author), Cristiano, M. L. S. (author), Fausto, R. (author)
Format: article
Language:eng
Published: 2006
Subjects:
5-Methoxy-1-phenyl-1H-tetrazole
3-Methoxy-1-phenyl-1H-diazirene
Phenylazide
1-Aza-1,2,4,6-cycloheptatetraene
Methylcyanate
Tetrazole ring cleavage
Matrix isolation IR spectroscopy
DFT(B3LYP)/6-311++G(d,p) calculations
Online Access:http://hdl.handle.net/10316/5085
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5085

Internet

http://hdl.handle.net/10316/5085

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