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dc.contributor.authorRuiz, Javier-
dc.contributor.authorSol, Daniel-
dc.contributor.authorGarcía, Lucía-
dc.contributor.authorMateo, María A.-
dc.contributor.authorVivanco, Marilín-
dc.contributor.authorMaelen, Juan F. van der-
dc.date.accessioned2020-05-08T12:17:43Z-
dc.date.available2020-05-08T12:17:43Z-
dc.date.issued2019-
dc.identifierdoi: 10.1021/acs.organomet.8b00898-
dc.identifiere-issn: 1520-6041-
dc.identifierissn: 0276-7333-
dc.identifier.citationOrganometallics 38(4): 916-925 (2019)-
dc.identifier.urihttp://hdl.handle.net/10261/210828-
dc.description.abstractA subtle change in the substituents at the nitrogen atoms in the N,N′-diarylformamidine complexes of formula fac-[Mn(RN═C(H)NHR)(bipy)(CO)3]+ (1a, R = phenyl; 1b, R = 4-dimethylaminophenyl) produces, upon deprotonation, either the monodentate formamidinate complex fac-[Mn(PhN═C(H)NPh)(bipy)(CO)3] (2a) or metallacylic complex 3b, which features a carbamoyl residue arising from nucleophilic attack to a vicinal carbonyl ligand. Complexes type 3 are also formed when using N-aryl-N′-alkyl-formamidines as well as N,N′-dialkylformamidines. Quantum Theory of Atoms in Molecules computations show the existence of a weak bond critical point of mainly noncovalent electrostatic type between the uncoordinated nitrogen atom of the formamidinate and a carbonyl ligand in 2a, which appears to be an isolable intermediate species that precedes the formation of metallacyclic complexes 3.-
dc.description.sponsorshipThis work was supported by the Spanish Ministerio de Economía y Competitividad (Projects CTQ2015-66959-P and MAT2016-78155-C2-1-R) and the Principado de Asturias grant GRUP-IN-14-060. D.S. thanks the Principado de Asturias for a scholarship.-
dc.languageeng-
dc.publisherAmerican Chemical Society-
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-66959-P-
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2016-78155-C2-1-R-
dc.rightsclosedAccess-
dc.titleGeneration and tunable cyclization of formamidinate ligands in carbonyl complexes of Mn(I): An experimental and theoretical study-
dc.typeartículo-
dc.identifier.doi10.1021/acs.organomet.8b00898-
dc.relation.publisherversionhttps://doi.org/10.1021/acs.organomet.8b00898-
dc.date.updated2020-05-08T12:17:43Z-
dc.contributor.funderMinisterio de Economía y Competitividad (España)-
dc.contributor.funderPrincipado de Asturias-
dc.relation.csic-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/100011941es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.cerifentitytypePublications-
item.grantfulltextnone-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextNo Fulltext-
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