000075578 001__ 75578
000075578 005__ 20200221144215.0
000075578 0247_ $$2doi$$a10.1021/acs.inorgchem.6b01216
000075578 0248_ $$2sideral$$a95915
000075578 037__ $$aART-2016-95915
000075578 041__ $$aeng
000075578 100__ $$0(orcid)0000-0002-4829-7590$$aEsteruelas, M. A.
000075578 245__ $$aAmmonia Borane Dehydrogenation Promoted by a Pincer-Square-Planar Rhodium(I) Monohydride: A Stepwise Hydrogen Transfer from the Substrate to the Catalyst
000075578 260__ $$c2016
000075578 5060_ $$aAccess copy available to the general public$$fUnrestricted
000075578 5203_ $$aThe pincer d8-monohydride complex RhH{xant(PiPr2)2} (xant(PiPr2)2 = 9, 9-dimethyl-4, 5-bis(diisopropylphosphino)xanthene) promotes the release of 1 equiv of hydrogen from H3BNH3 and H3BNHMe2 with TOF50% values of 3150 and 1725 h–1, to afford [BH2NH2]n and [BH2NMe2]2 and the tandem ammonia borane dehydrogenation–cyclohexene hydrogenation. DFT calculations on the ammonia borane dehydrogenation suggest that the process takes place by means of cis-¿2-PP-species, through four stages including: (i) Shimoi-type coordination of ammonia borane, (ii) homolytic addition of the coordinated H–B bond to afford a five-coordinate dihydride-boryl-rhodium(III) intermediate, (iii) reductive intramolecular proton transfer from the NH3 group to one of the hydride ligands, and (iv) release of H2 from the resulting square-planar hydride dihydrogen rhodium(I) intermediate.
000075578 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E35$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-51912-REDC$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-52799-P$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-53662-P
000075578 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000075578 590__ $$a4.857$$b2016
000075578 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b4 / 46 = 0.087$$c2016$$dQ1$$eT1
000075578 592__ $$a1.804$$b2016
000075578 593__ $$aChemistry (miscellaneous)$$c2016$$dQ1
000075578 593__ $$aPhysical and Theoretical Chemistry$$c2016$$dQ1
000075578 593__ $$aInorganic Chemistry$$c2016$$dQ1
000075578 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000075578 700__ $$aNolis, P.
000075578 700__ $$0(orcid)0000-0003-0381-0917$$aOliván, M.
000075578 700__ $$0(orcid)0000-0003-2094-719X$$aOñate, E.
000075578 700__ $$aVallribera, A.
000075578 700__ $$0(orcid)0000-0003-1974-5507$$aVélez, A.
000075578 773__ $$g55, 14 (2016), 7176-7181$$pInorg. chem.$$tInorganic Chemistry$$x0020-1669
000075578 8564_ $$s379639$$uhttps://zaguan.unizar.es/record/75578/files/texto_completo.pdf$$yPostprint
000075578 8564_ $$s113935$$uhttps://zaguan.unizar.es/record/75578/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000075578 909CO $$ooai:zaguan.unizar.es:75578$$particulos$$pdriver
000075578 951__ $$a2020-02-21-13:12:53
000075578 980__ $$aARTICLE