000056357 001__ 56357
000056357 005__ 20170503140337.0
000056357 0247_ $$2doi$$a10.1002/ejic.201500853
000056357 0248_ $$2sideral$$a92000
000056357 037__ $$aART-2015-92000
000056357 041__ $$aeng
000056357 100__ $$aGarcía, N.
000056357 245__ $$aAn insight into transfer hydrogenation reactions catalysed by iridium(iii) bis-n-heterocyclic carbenes
000056357 260__ $$c2015
000056357 5060_ $$aAccess copy available to the general public$$fUnrestricted
000056357 5203_ $$aA variety of [M(L)2(L')2{kC,C'-bis(NHC)}]BF4 complexes (M = Rh or Ir; L = CH3CN or wingtip group; L' = I– or CF3COO–; NHC=N-heterocyclic carbene) have been tested as pre-catalysts for the transfer hydrogenation of ketones and imines. The conversions and TOF's obtained are closely related to the nature of the ligand system and metal centre, more strongly coordinating wingtip groups yielding more active and recyclable catalysts. Theoretical calculations at the DFT level support a classic stepwise metal-hydride pathway against the concerted Meerwein–Ponndorf–Verley (MPV) mechanism. The calculated catalytic cycle involves a series of ligand rearrangements due to the high trans effect of the carbene and hydrido ligands, which are more stable when situated in mutual cis positions. The reaction profiles obtained for the complexes featuring an iodide or a trifluoroacetate in one of the apical positions agree well with the relative activity observed for both catalysts.
000056357 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E07$$9info:eu-repo/grantAgreement/ES/MINECO/Consolider-Ingenio/CTQ2011-27593$$9info:eu-repo/grantAgreement/ES/MINECO/Consolider-Ingenio/CTQ2012-35665$$9info:eu-repo/grantAgreement/ES/MINECO/Consolider-Ingenio/CSD2009-0050
000056357 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000056357 590__ $$a2.686$$b2015
000056357 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b12 / 46 = 0.261$$c2015$$dQ2$$eT1
000056357 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/submittedVersion
000056357 700__ $$aJaseer, E.A.
000056357 700__ $$0(orcid)0000-0002-9587-9227$$aMunarriz, J.$$uUniversidad de Zaragoza
000056357 700__ $$0(orcid)0000-0002-8220-6031$$aSanz Miguel, P.J.$$uUniversidad de Zaragoza
000056357 700__ $$0(orcid)0000-0001-5823-7965$$aPolo, V.$$uUniversidad de Zaragoza
000056357 700__ $$0(orcid)0000-0003-3144-5320$$aIglesias, M.$$uUniversidad de Zaragoza
000056357 700__ $$0(orcid)0000-0001-7154-7239$$aOro, L.A.$$uUniversidad de Zaragoza
000056357 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDepartamento de Química Física$$cQuímica Física
000056357 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDepartamento de Química Inorgánica$$cQuímica Inorgánica
000056357 773__ $$g2015, 26 (2015), 4388-4395$$pEur. j. inorg. chem.$$tEUROPEAN JOURNAL OF INORGANIC CHEMISTRY$$x1434-1948
000056357 8564_ $$s845869$$uhttp://zaguan.unizar.es/record/56357/files/texto_completo.pdf$$yPreprint
000056357 8564_ $$s118581$$uhttp://zaguan.unizar.es/record/56357/files/texto_completo.jpg?subformat=icon$$xicon$$yPreprint
000056357 909CO $$ooai:zaguan.unizar.es:56357$$particulos$$pdriver
000056357 951__ $$a2017-05-03-13:58:26
000056357 980__ $$aARTICLE