000133421 001__ 133421
000133421 005__ 20250923084427.0
000133421 0247_ $$2doi$$a10.1039/d4sc00543k
000133421 0248_ $$2sideral$$a138127
000133421 037__ $$aART-2024-138127
000133421 041__ $$aeng
000133421 100__ $$aPérez-Bitrián, Alberto
000133421 245__ $$aQuesting for homoleptic mononuclear manganese complexes with monodentate O-donor ligands
000133421 260__ $$c2024
000133421 5060_ $$aAccess copy available to the general public$$fUnrestricted
000133421 5203_ $$aCompounds containing Mn–O bonds are of utmost importance in biological systems and catalytic processes. Nevertheless, mononuclear manganese complexes containing all O-donor ligands are still rare. Taking advantage of the low tendency of the pentafluoroorthotellurate ligand (teflate, OTeF5) to bridge metal centers, we have synthesized two homoleptic manganese complexes with monomeric structures and an all O-donor coordination sphere. The tetrahedrally distorted MnII anion, [Mn(OTeF5)4]2−, can be described as a high spin d5 complex (S = 5/2), as found experimentally (magnetic susceptibility measurements and EPR spectroscopy) and using theoretical calculations (DFT and CASSCF/NEVPT2). The high spin d4 electronic configuration (S = 2) of the MnIII anion, [Mn(OTeF5)5]2−, was also determined experimentally and theoretically, and a square pyramidal geometry was found to be the most stable one for this complex. Finally, the bonding situation in both complexes was investigated by means of the Interacting Quantum Atoms (IQA) methodology and compared to that of hypothetical mononuclear fluoromanganates. Within each pair of [MnXn]2− (n = 4, 5) species (X = OTeF5, F), the Mn–X interaction is found to be comparable, therefore proving that the similar electronic properties of the teflate and the fluoride are also responsible for the stabilization of these unique species.
000133421 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-122763NB-I00
000133421 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000133421 590__ $$a7.4$$b2024
000133421 592__ $$a2.138$$b2024
000133421 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b43 / 239 = 0.18$$c2024$$dQ1$$eT1
000133421 593__ $$aChemistry (miscellaneous)$$c2024$$dQ1
000133421 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000133421 700__ $$0(orcid)0000-0001-6089-6126$$aMunárriz, Julen$$uUniversidad de Zaragoza
000133421 700__ $$aKrause, Konstantin B.
000133421 700__ $$aSchlögl, Johanna
000133421 700__ $$aHoffmann, Kurt F.
000133421 700__ $$aSturm, Johanna S.
000133421 700__ $$aHadi, Amiera N.
000133421 700__ $$aTeutloff, Christian
000133421 700__ $$aWiesner, Anja
000133421 700__ $$aLimberg, Christian
000133421 700__ $$aRiedel, Sebastian
000133421 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000133421 773__ $$g15, 15 (2024), 5564-5572$$pChem. sci.$$tCHEMICAL SCIENCE$$x2041-6520
000133421 8564_ $$s1028493$$uhttps://zaguan.unizar.es/record/133421/files/texto_completo.pdf$$yVersión publicada
000133421 8564_ $$s2845998$$uhttps://zaguan.unizar.es/record/133421/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000133421 909CO $$ooai:zaguan.unizar.es:133421$$particulos$$pdriver
000133421 951__ $$a2025-09-22-14:40:13
000133421 980__ $$aARTICLE