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A combined experimental and theoretical study on a single, unsupported oxo-bridged Mn(iii,iii) dimer coordinated to two iminobenzosemiquinone π-radical anions
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SYSNO ASEP 0543394 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A combined experimental and theoretical study on a single, unsupported oxo-bridged Mn(iii,iii) dimer coordinated to two iminobenzosemiquinone π-radical anions Author(s) Paul, G. C. (IN)
Sarkar, P. (IN)
Sarmah, Amrit (UOCHB-X) ORCID
Shaw, P. (IN)
Maity, S. (IN)
Mukherjee, C. (IN)Source Title Dalton Transactions. - : Royal Society of Chemistry - ISSN 1477-9226
Roč. 50, č. 25 (2021), s. 8768-8775Number of pages 8 s. Language eng - English Country GB - United Kingdom Keywords transition-metal-complexes ; manganese(iii) complexes ; dimanganese complexes OECD category Physical chemistry R&D Projects GBP208/12/G016 GA ČR - Czech Science Foundation (CSF) GX19-27454X GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UOCHB-X - RVO:61388963 UT WOS 000657790000001 EID SCOPUS 85108868156 DOI 10.1039/d1dt00489a Annotation Ligand H2LAP comprises a non-innocent 2-aminophenol unit and an innocent bis(pyridin-2-ylmethyl)amine unit. The ligand, upon reaction with an equivalent amount of Mn(ClO4)2·6H2O in the presence of Et3N under air in MeOH, provided a mono(oxo)-bridged dinuclear Mn2 complex ({[(LISQ)MnIII–O–MnIII(LISQ)][(ClO4)]2}, 1). X-ray crystal structure analysis of complex 1 revealed that in the dicationic unit, the physical oxidation state of each Mn ion was +III and the 2-aminophenol unit of ligand H2LAP was in its one-electron oxidized iminobenzosemiquinone form. 1H-NMR measurement of complex 1 confirmed that the complex acquired a diamagnetic ground state (St = 0). Thus, antiferromagnetic couplings among the paramagnetic centers were realized. The UV-Vis-NIR spectrum of complex 1 was consisted of ligand-to-metal charge-transfer transitions in the visible region, while ligand-to-metal and metal-to-ligand charge-transfer transitions were noticed in the near-infrared region due to the presence of iminobenzosemiquinone radical units. The cyclic voltammogram of the complex showed three one-electron oxidation waves and two one-electron reduction waves. While the first two oxidation processes were metal-based, the two successive reductions were ligand-centered. DFT-based theoretical studies confirmed the assignment. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2022 Electronic address https://doi.org/10.1039/D1DT00489A
Number of the records: 1