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Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II)

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https://figshare.com/articles/dataset/Synthesis_and_Characterization_of_Ferrocene_Chelating_Heteroscorpionate_Complexes_of_Nickel_II_and_Zinc_II_/2196205
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The first example of a ferrocene-chelating heteroscorpionate, [Li­(THF)2]­[fc­(PPh2)­(BH­[(3,5-Me)2pz]2)] ((fcP,B)­Li­(THF)2, fc = 1,1′-ferrocenediyl) is described. Starting from a previously reported compound, fcBr­(PPh2), a series of ferrocene derivatives, fc­(PPh2)­(B­[OMe]2), [Li­(OEt2)]­[fc­(PPh2)­(BH3)], [Li­(THF)2]­[fc­(PPh2)­(BH­[(3,5-Me)2pz]2)] (pz = pyrazole), was isolated and characterized. Compound (fcP,B)­Li­(THF)2 allowed the synthesis of the corresponding nickel and zinc complexes, (fcP,B)­NiCl, (fcP,B)­NiMe, (fcP,B)­ZnCl, and (fcP,B)­ZnMe. All compounds were characterized by NMR spectroscopy, while the zinc and nickel complexes were also characterized by X-ray crystallography. The redox behavior of (fcP,B)­NiCl, (fcP,B)­NiMe, (fcP,B)­ZnCl, and (fcP,B)­ZnMe was studied by cyclic voltammetry and supported by density functional theory calculations.
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2016-02-14
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