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oai:recercat.cat:2445/1777332025-12-04T21:43:30Zcom_2072_1057col_2072_478917col_2072_478933

New highly charged iron(III) metal-organic cube stabilized by a bulky amine. Cruz, Carlos Vega Carvallo, Andrés Igor Spodine, Evgenia Escuer Fité, Albert Marco, José F. Menéndez, Nieves Venegas-Yazigi, Diego Paredes García, Verónica Espectrometria de masses Espectroscòpia de raigs X Mass spectrometry X-ray spectroscopy In this work, we report a new octanuclear cluster based on FeIII and the ligand 1H-imidazole-4,5-dicarboxylic acid, [Et3NH]12[Fe8(IDC)12]·10DMF·13H2O (1), with a metal core containing eight FeIII connected by only one type of organic ligand. A peak at 573 m/z in the mass spectra of the compound suggests the adduct species {[Fe8(IDC)12]+8H}4-. By X-ray photoelectron spectroscopy, the oxidation state of the iron cation was confirmed to be 3+, also identifying the presence of a quaternary nitrogen species, which act as a countercation of the anionic metal core [Fe8(IDC)12]12-. Mössbauer spectra recorded at different temperatures show an isomer shift and quadrupole splitting parameters that confirm the existence of only FeIII-HS in the structure of 1. X-ray analysis reveals that compound 1 crystallizes in the orthorhombic system space group Ibam, confirming a molecular cluster structure with an almost regular cube as geometry, with the FeIII atoms located at the corners of the cube and connected by μ-1κ2 N,O:2κ2 N',O‴-IDC3- bridges. Additionally, the magnetic measurements reveal a weak antiferromagnetic coupling in the Fe8 III coordination cluster (J = -3.8 cm-1). To the best of our knowledge, 1 is the first member of the family of cubes assembled with 1H-imidazole-4,5-dicarboxylic acid and FeIII cation, exhibiting high pH stability over a broad pH range, making it an ideal candidate for the design of supramolecular structures and metal-organic frameworks. 2021-05-27T10:32:10Z 2021-05-27T10:32:10Z 2020-08-14 2021-05-27T10:32:10Z info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion 2470-1343 https://hdl.handle.net/2445/177733 712071 32923781 eng Reproducció del document publicat a: https://doi.org/10.1021/acsomega.0c02420 ACS Omega , 2020, vol. 5, num. 35, p. 22238-22247 https://doi.org/10.1021/acsomega.0c02420 (c) American Chemical Society, 2020 http://pubs.acs.org/page/policy/authorchoice_termsofuse.html info:eu-repo/semantics/openAccess 10 p. application/pdf American Chemical Society Articles publicats en revistes (Química Inorgànica i Orgànica)