First heterobimetallic AgI–CoIII coordination compound with both bridging and terminal –NO2 coordination modes: synthesis,characterization, structural and computational studies of (PPh3)2AgI–(μ‐κ2O,O′:κN‐NO2)–CoIII(DMGH)2(κN‐NO2) |
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Abstract: | An unusual heterobimetallic bis(triphenylphosphane)(NO2)AgI–CoIII(dimethylglyoximate)(NO2) coordination compound with both bridging and terminal –NO2 (nitro) coordination modes has been isolated and characterized from the reaction of CoCl(DMGH)2(PPh3)] (DMGH2 is dimethylglyoxime or N,N′‐dihydroxybutane‐2,3‐diimine) with excess AgNO2. In the title compound, namely bis(dimethylglyoximato‐1κ2O,O′)(μ‐nitro‐1κN:2κ2O,O′)(nitro‐1κN)bis(triphenylphosphane‐2κP)cobalt(III)silver(I), AgCo(C4H7N2O2)2(NO2)2(C18H15P)2], one of the ambidentate –NO2 ligands, in a bridging mode, chelates the AgI atom in an isobidentate κ2O,O′‐manner and its N atom is coordinated to the CoIII atom. The other –NO2 ligand is terminally κN‐coordinated to the CoIII atom. The structure has been fully characterized by X‐ray crystallography and spectroscopic methods. Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) have been used to study the ground‐state electronic structure and elucidate the origin of the electronic transitions, respectively. |
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Keywords: | heterobimetallic coordination compound crystal structure dimethylglyoxime TD‐DFT computational chemistry linkage isomerism |
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