000124381 001__ 124381 000124381 005__ 20241125101131.0 000124381 0247_ $$2doi$$a10.1002/chem.202203181 000124381 0248_ $$2sideral$$a132739 000124381 037__ $$aART-2023-132739 000124381 041__ $$aeng 000124381 100__ $$0(orcid)0000-0003-2260-676X$$aPérez-Bitrián, Alberto 000124381 245__ $$aTerminal Au-N and Au-O Units in Organometallic Frames 000124381 260__ $$c2023 000124381 5060_ $$aAccess copy available to the general public$$fUnrestricted 000124381 5203_ $$aSince gold is located well beyond the oxo wall, chemical species with terminal Au−N and Au−O units are extremely rare and limited to low coordination numbers. We report here that these unusual units can be trapped within a suitable organometallic frame. Thus, the terminal auronitrene and auroxyl derivatives [(CF3)3AuN]− and [(CF3)3AuO]− were identified as local minima by calculation. These open-shell, high-energy ions were experimentally detected by tandem mass spectrometry (MS2): They respectively arise by N2 or NO2 dissociation from the corresponding precursor species [(CF3)3Au(N3)]− and [(CF3)3Au(ONO2)]− in the gas phase. Together with the known fluoride derivative [(CF3)3AuF]−, they form an interesting series of isoleptic and alloelectronic complexes of the highly acidic organogold(iii) moiety (CF3)3Au with singly charged anions X− of the most electronegative elements (X=F, O, N). Ligand-field inversion in all these [(CF3)3AuX]− species results in the localization of unpaired electrons at the N and O atoms. 000124381 536__ $$9info:eu-repo/grantAgreement/ES/AEI/MDM-2017-0767$$9info:eu-repo/grantAgreement/ES/DGA/E17-20R$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-122869NB-I00$$9info:eu-repo/grantAgreement/ES/MICINN/RYC-2017-22853$$9info:eu-repo/grantAgreement/ES/MICIU/PGC2018-093863-B-C21 000124381 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/ 000124381 590__ $$a3.9$$b2023 000124381 592__ $$a1.058$$b2023 000124381 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b80 / 231 = 0.346$$c2023$$dQ2$$eT2 000124381 593__ $$aChemistry (miscellaneous)$$c2023$$dQ1 000124381 593__ $$aOrganic Chemistry$$c2023$$dQ1 000124381 593__ $$aCatalysis$$c2023$$dQ2 000124381 594__ $$a7.9$$b2023 000124381 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000124381 700__ $$aÁlvarez, Santiago 000124381 700__ $$0(orcid)0000-0002-2492-625X$$aBaya, Miguel$$uUniversidad de Zaragoza 000124381 700__ $$aEcheverría, Jorge$$uUniversidad de Zaragoza 000124381 700__ $$0(orcid)0000-0002-4808-574X$$aMartín, Antonio 000124381 700__ $$0(orcid)0000-0003-3514-2570$$aOrduna, Jesús 000124381 700__ $$0(orcid)0000-0001-9045-5102$$aMenjón, Babil 000124381 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica 000124381 773__ $$g29, 8 (2023), e202203181 [7 pp.]$$pChemistry (Weinh.)$$tChemistry - A European Journal$$x0947-6539 000124381 8564_ $$s1341052$$uhttps://zaguan.unizar.es/record/124381/files/texto_completo.pdf$$yVersión publicada 000124381 8564_ $$s2648062$$uhttps://zaguan.unizar.es/record/124381/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000124381 909CO $$ooai:zaguan.unizar.es:124381$$particulos$$pdriver 000124381 951__ $$a2024-11-22-11:58:55 000124381 980__ $$aARTICLE