dc.creator | Frija, L. M. T. | |
dc.creator | Reva, I. D. | |
dc.creator | Gomez Zavaglia, Andrea | |
dc.creator | Cristiano, M. L. S. | |
dc.creator | Fausto, R. | |
dc.date.accessioned | 2020-07-24T18:08:47Z | |
dc.date.accessioned | 2022-10-15T10:58:34Z | |
dc.date.available | 2020-07-24T18:08:47Z | |
dc.date.available | 2022-10-15T10:58:34Z | |
dc.date.created | 2020-07-24T18:08:47Z | |
dc.date.issued | 2007-12 | |
dc.identifier | Frija, L. M. T.; Reva, I. D.; Gomez Zavaglia, Andrea; Cristiano, M. L. S.; Fausto, R.; UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone; Royal Society of Chemistry; Photochemical and Photobiological Sciences; 6; 11; 12-2007; 1170-1176 | |
dc.identifier | 1474-905X | |
dc.identifier | http://hdl.handle.net/11336/110205 | |
dc.identifier | CONICET Digital | |
dc.identifier | CONICET | |
dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/4378295 | |
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 (lambda > 235 nm) of matrix-isolated PAT induces three types of photofragmentation: (1) production of phenylazide and allyl-isocyanate, with phenylazide then losing N(2) to yield 1-aza-1,2,4,6-cycloheptatetraene; (2) formation of phenyl-isocyanate and allylazide; (3) N(2) 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. | |
dc.language | eng | |
dc.publisher | Royal Society of Chemistry | |
dc.relation | info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2007/pp/b703961a/unauth#!divAbstract | |
dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/b703961a | |
dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | |
dc.rights | info:eu-repo/semantics/restrictedAccess | |
dc.subject | Tetrazoles | |
dc.subject | FTIR | |
dc.subject | Matrix isolation spectroscopy | |
dc.title | UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone | |
dc.type | info:eu-repo/semantics/article | |
dc.type | info:ar-repo/semantics/artículo | |
dc.type | info:eu-repo/semantics/publishedVersion | |