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- W4385331245 abstract "The pentafluoroorthotellurate group (teflate, OTeF5) is considered as a bulky analogue of fluoride, yet its coordination behavior in transition metal complexes is not fully understood. By reaction of [CoCl4]2- and neat ClOTeF5, we synthesized the first cobalt teflate complex, [Co(OTeF5)4]2-, which exhibits moisture-resistant Co-OTeF5 bonds. Through a combined experimental and theoretical (DFT and NEVPT2) study, the properties and electronic structure of this species have been investigated. It exhibits a distorted tetrahedral structure around the cobalt center and can be described as a d7 system with a quartet (S = 3/2) ground state. A comparative bonding analysis of the (pseudo)tetrahedral [CoX4]2- anions (X = OTeF5, F, Cl) revealed that the strength of the Co-X interaction is similar in the three cases, being the strongest in [Co(OTeF5)4]2-. In addition, an analysis of the charge of the Co center reinforced the similar electron-withdrawing properties of the teflate and fluoride ligands. Therefore, the [Co(OTeF5)4]2- anion constitutes an analogue of the polymeric [CoF4]2- in terms of electronic properties, but with a monomeric structure." @default.
- W4385331245 created "2023-07-29" @default.
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- W4385331245 date "2023-07-28" @default.
- W4385331245 modified "2023-10-17" @default.
- W4385331245 title "Further Perspectives on the Teflate versus Fluoride Analogy: The Case of a Co(II) Pentafluoroorthotellurate Complex" @default.
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- W4385331245 doi "https://doi.org/10.1021/acs.inorgchem.3c01730" @default.
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