Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/17938
DC Field | Value | Language |
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dc.contributor.author | Frija, L. M. T. | - |
dc.contributor.author | Reva, I. D. | - |
dc.contributor.author | Gómez-Zavaglia, A. | - |
dc.contributor.author | Cristiano, M. L. S. | - |
dc.contributor.author | Fausto, R. | - |
dc.date.accessioned | 2011-12-15T16:51:25Z | - |
dc.date.available | 2011-12-15T16:51:25Z | - |
dc.date.issued | 2007-07 | - |
dc.identifier.uri | https://hdl.handle.net/10316/17938 | - |
dc.description.abstract | The photochemistry and molecular structure of 1-phenyl-4-allyl-tetrazolone (PAT) was studied by FT-IR matrix isolation spectroscopy and DFT(B3LYP)/6-311++G(d,p) calculations. The spectrum of matrix-isolated PAT monomers agrees well with the sum spectrum of three conformers predicted theoretically. UV irradiation (λ > 235 nm) of matrix-isolated PAT induces three types of photofragmentation: (1) production of phenylazide and allyl-isocyanate, with phenylazide then losing N2 to yield 1-aza-1,2,4,6-cycloheptatetraene; (2) formation of phenyl-isocyanate and allylazide; (3) N2 elimination leading to formation of 1-allyl-2-phenyldiaziridin-3-one; this compound partially reacts further to form 1-allyl-1H-benzoimidazol-2(3H)-one. The observed photochemistry of the matrix-isolated PAT is distinct from the preferred photochemical fragmentation in solution, where 3,4-dihydro-3-phenylpyrimidin-2(1H)-one is produced as the primary photoproduct. | por |
dc.language.iso | eng | por |
dc.publisher | The Royal Society of Chemistry | por |
dc.rights | openAccess | por |
dc.title | UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone | por |
dc.type | article | por |
degois.publication.firstPage | 1170 | por |
degois.publication.lastPage | 1176 | por |
degois.publication.title | Photochemical & Photobiological Sciences | por |
dc.peerreviewed | Yes | por |
dc.identifier.doi | 10.1039/B703961A | - |
degois.publication.volume | 6 | por |
uc.controloAutoridade | Sim | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-3252-3482 | - |
crisitem.author.orcid | 0000-0001-5983-7743 | - |
crisitem.author.orcid | 0000-0002-8705-0160 | - |
crisitem.author.orcid | 0000-0002-8264-6854 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Photochem. Photobiol. Sci., 6 (2007) 1170.pdf | 226.56 kB | Adobe PDF | View/Open |
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