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On the Existence of an N-Metalated N-Heterocyclic Carbene: A Theoretical Study
dc.contributor.author | Ruiz Pastor, Francisco Javier | |
dc.contributor.author | Fernández Perandones, Bernabé | |
dc.contributor.author | Van der Maelen Uría, Juan Francisco | |
dc.contributor.author | García-Granda, Santiago | |
dc.date.accessioned | 2013-01-30T10:08:55Z | |
dc.date.available | 2013-01-30T10:08:55Z | |
dc.date.issued | 2010 | |
dc.identifier.citation | Organometallics, 29(2010), p. 4639-4642 (2010); doi:10.1021/om100469m | spa |
dc.identifier.issn | 0276-7333 | |
dc.identifier.uri | http://hdl.handle.net/10651/8609 | |
dc.description.abstract | Theoretical DFT calculations support the transient formation of carbene 2, a singular case of N-metalated NHC, derived from deprotonation of 1-phenylimidazole (L) in the cationic metal complex fac-[Mn(L)(CO)3(bipy)]+. The mechanism transforming 2 into the more stable imidazolyl tautomer 3 proceeds through the formation of the acyl intermediate 5, resulting from carbene−carbonyl coupling. | spa |
dc.format.extent | p. 4639-4642 | spa |
dc.language.iso | eng | |
dc.relation.ispartof | Organometallics | spa |
dc.rights | (c) American Chemical Society | |
dc.title | On the Existence of an N-Metalated N-Heterocyclic Carbene: A Theoretical Study | spa |
dc.type | journal article | |
dc.identifier.local | 20101296 | spa |
dc.identifier.doi | 10.1021/om100469m | |
dc.relation.publisherversion | http://dx.doi.org/10.1021/om100469m | spa |
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