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http://hdl.handle.net/10261/210828
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dc.contributor.author | Ruiz, Javier | - |
dc.contributor.author | Sol, Daniel | - |
dc.contributor.author | García, Lucía | - |
dc.contributor.author | Mateo, María A. | - |
dc.contributor.author | Vivanco, Marilín | - |
dc.contributor.author | Maelen, Juan F. van der | - |
dc.date.accessioned | 2020-05-08T12:17:43Z | - |
dc.date.available | 2020-05-08T12:17:43Z | - |
dc.date.issued | 2019 | - |
dc.identifier | doi: 10.1021/acs.organomet.8b00898 | - |
dc.identifier | e-issn: 1520-6041 | - |
dc.identifier | issn: 0276-7333 | - |
dc.identifier.citation | Organometallics 38(4): 916-925 (2019) | - |
dc.identifier.uri | http://hdl.handle.net/10261/210828 | - |
dc.description.abstract | A 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.sponsorship | This 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.language | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-66959-P | - |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2016-78155-C2-1-R | - |
dc.rights | closedAccess | - |
dc.title | Generation and tunable cyclization of formamidinate ligands in carbonyl complexes of Mn(I): An experimental and theoretical study | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1021/acs.organomet.8b00898 | - |
dc.relation.publisherversion | https://doi.org/10.1021/acs.organomet.8b00898 | - |
dc.date.updated | 2020-05-08T12:17:43Z | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.contributor.funder | Principado de Asturias | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100011941 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | No Fulltext | - |
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