000102197 001__ 102197
000102197 005__ 20230519145456.0
000102197 0247_ $$2doi$$a10.1021/acs.organomet.0c00690
000102197 0248_ $$2sideral$$a124220
000102197 037__ $$aART-2021-124220
000102197 041__ $$aeng
000102197 100__ $$0(orcid)0000-0001-9815-9383$$aBabón, J.C.$$uUniversidad de Zaragoza
000102197 245__ $$aAssembly of a dihydrideborate and two aryl nitriles to form a C, N, N''-Pincer Ligand Coordinated to Osmium
000102197 260__ $$c2021
000102197 5060_ $$aAccess copy available to the general public$$fUnrestricted
000102197 5203_ $$aThe C, N, N''-donor aryl-diimineborate pincer ligand of the complexes OsH2{¿3-C, N, N-[C6H3RCH = NB(cat)N = CHC6H4R]}(PiPr3)2 (R = H, Me) has been generated in a one-pot procedure, by the reaction of the hexahydride OsH6(PiPr3)2 with catecholborane (catBH) and two molecules of the corresponding aryl nitrile. The osmium-pincer bonding situation has been analyzed by means of atoms in molecules (AIM), natural bond orbital (NBO), and energy decomposition analysis coupled with the natural orbitals for chemical valence (EDA-NOCV) methods. According to the results, the complexes exhibit a rather strong electron-sharing Os-C bond, two weaker donor-acceptor N-Os bonds, and two ?-back-donations from the transition metal to vacant p* orbitals of the formed metallacycles. In addition, spectroscopic findings and DFT calculations reveal that the donor units of the pincer are incorporated in a sequential manner. First, the central Os-N bond is formed, by the reaction of the dihydrideborate ligand of the intermediate OsH3{¿2-H, H-(H2Bcat)}(PiPr3)2 with one of the aryl nitriles. The subsequent oxidative addition of the o-C-H bond of the aryl substituent of the resulting ¿1-N-(N-boryl-arylaldimine) affords the Os-C bond. Finally, the second Os-N bond is generated from a hydride, an ortho-metalated N-boryl-arylaldimine, and the second aryl nitrile.
000102197 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E06-20R$$9info:eu-repo/grantAgreement/ES/DGA/LMP148-18$$9info:eu-repo/grantAgreement/ES/MINECO-AEI-FEDER/CTQ2017-82935-P$$9info:eu-repo/grantAgreement/ES/MINECO-AEI-FEDER/RED2018-102387-T$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2016-78205-P$$9info:eu-repo/grantAgreement/ES/MINECO/PID2019-106184GB-I00
000102197 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000102197 590__ $$a3.837$$b2021
000102197 592__ $$a0.994$$b2021
000102197 591__ $$aCHEMISTRY, ORGANIC$$b15 / 57 = 0.263$$c2021$$dQ2$$eT1
000102197 593__ $$aOrganic Chemistry$$c2021$$dQ1
000102197 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b12 / 46 = 0.261$$c2021$$dQ2$$eT1
000102197 593__ $$aInorganic Chemistry$$c2021$$dQ1
000102197 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000102197 700__ $$0(orcid)0000-0002-4829-7590$$aEsteruelas, M.A.
000102197 700__ $$aFernández, I.
000102197 700__ $$0(orcid)0000-0001-7183-4975$$aLópez, A.M.$$uUniversidad de Zaragoza
000102197 700__ $$0(orcid)0000-0003-2094-719X$$aOñate, E.
000102197 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000102197 773__ $$g40, 6 (2021), 635–642$$pOrganometallics$$tOrganometallics$$x0276-7333
000102197 8564_ $$s577303$$uhttps://zaguan.unizar.es/record/102197/files/texto_completo.pdf$$yPostprint
000102197 8564_ $$s2938099$$uhttps://zaguan.unizar.es/record/102197/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000102197 909CO $$ooai:zaguan.unizar.es:102197$$particulos$$pdriver
000102197 951__ $$a2023-05-18-14:51:03
000102197 980__ $$aARTICLE