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

Ficheros en el ítem

Ficheros	Tamaño	Formato	Ver
No hay ficheros asociados a este ítem.