000127628 001__ 127628
000127628 005__ 20231006143255.0
000127628 0247_ $$2doi$$a10.1002/cctc.201901687
000127628 0248_ $$2sideral$$a115851
000127628 037__ $$aART-2019-115851
000127628 041__ $$aeng
000127628 100__ $$aOjeda-Amador, A.I.
000127628 245__ $$aMechanistic insights on the functionalization of CO2 with amines and hydrosilanes catalyzed by a Zwitterionic iridium carboxylate-functionalized bis-NHC catalyst
000127628 260__ $$c2019
000127628 5060_ $$aAccess copy available to the general public$$fUnrestricted
000127628 5203_ $$aThe zwitterionic complex [Cp*IrCl{(MeIm)2CHCOO}] (1) efficiently catalyzes the selective hydrosilylation of CO2 to afford the corresponding silylformate. The best reaction performance has been achieved in acetonitrile at 348 K using HSiMe2Ph. The 1-catalyzed reaction of pyrrolidine with CO2 and HSiMe2Ph strongly depends on the CO2 pressure. At low concentration of CO2 (1 bar) formation of the corresponding silylcarbamate, by insertion of CO2 into the Si-N bond of the in situ generated silylamine was observed, while at higher pressure (3 bar) the formamide derivative was obtained as major reaction product. The unexpected formation of pyrrolidin-1-ium formate as intermediate of the reaction the 1-catalyzed of CO2 with pyrrolidine and HSiMe2Ph has been observed, and its role in the formation of 1-formylpyrrolidine rationalized. Moreover, a mechanism for the reaction of CO2 with hydrosilanes, in the presence and in the absence of amines, based on theoretical calculations has been proposed.
000127628 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FSE/E42-17R$$9info:eu-repo/grantAgreement/ES/MCIU/FPU14-06003$$9info:eu-repo/grantAgreement/ES/MICINN-FEDER/CTQ2016-75884-P$$9info:eu-repo/grantAgreement/ES/MINECO-FEDER/PGC2018-099383-B-I00
000127628 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000127628 590__ $$a4.853$$b2019
000127628 591__ $$aCHEMISTRY, PHYSICAL$$b50 / 159 = 0.314$$c2019$$dQ2$$eT1
000127628 592__ $$a1.338$$b2019
000127628 593__ $$aCatalysis$$c2019$$dQ1
000127628 593__ $$aPhysical and Theoretical Chemistry$$c2019$$dQ1
000127628 593__ $$aOrganic Chemistry$$c2019$$dQ1
000127628 593__ $$aInorganic Chemistry$$c2019$$dQ1
000127628 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000127628 700__ $$0(orcid)0000-0001-6089-6126$$aMunarriz, J.$$uUniversidad de Zaragoza
000127628 700__ $$aAlamán-Valtierra, P.$$uUniversidad de Zaragoza
000127628 700__ $$aPolo, V.
000127628 700__ $$aPuerta-Oteo, R.
000127628 700__ $$0(orcid)0000-0002-0545-9107$$aJiménez, M.V.$$uUniversidad de Zaragoza
000127628 700__ $$0(orcid)0000-0002-0497-1969$$aFernández-Alvarez, F.J.$$uUniversidad de Zaragoza
000127628 700__ $$0(orcid)0000-0002-3327-0918$$aPérez-Torrente, J.J.$$uUniversidad de Zaragoza
000127628 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000127628 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000127628 7102_ $$11009$$2617$$aUniversidad de Zaragoza$$bDpto. Patología Animal$$cÁrea Medicina y Cirugía Animal
000127628 773__ $$g11, 22 (2019), 5524-5535$$pChemCatChem$$tChemCatChem$$x1867-3880
000127628 8564_ $$s1229362$$uhttps://zaguan.unizar.es/record/127628/files/texto_completo.pdf$$yPostprint
000127628 8564_ $$s2803793$$uhttps://zaguan.unizar.es/record/127628/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000127628 909CO $$ooai:zaguan.unizar.es:127628$$particulos$$pdriver
000127628 951__ $$a2023-10-06-14:06:16
000127628 980__ $$aARTICLE