Nickel(II) Complexation with Nitrate in Dry [C4mim][Tf2N] Ionic Liquid: A Spectroscopic, Microcalorimetric, and Molecular Dynamics Study

Abstract : Nickel(II) is able to form up to three stable mononuclear complexes of decreasing stability in the ionic liquid [C4mim][Tf2N]. The formation of the first two species is enthalpy-driven, while the third species is entropy-stabilized. The Ni(II) ion retains the 6-coordinate geometry in all species, and nitrate is always bidentate. Molecular dynamics simulations show that the anions can coordinate either as monodentate or chelate and that nitrate coordination produces remarkable structural rearrangements of the ionic liquid.
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Submitted on : Friday, May 20, 2016 - 2:24:19 PM
Last modification on : Tuesday, November 19, 2019 - 2:45:06 AM

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A. Melchior, C. Gaillard, S. Gràcia Lanas, M. Tolazzi, I. Billard, et al.. Nickel(II) Complexation with Nitrate in Dry [C4mim][Tf2N] Ionic Liquid: A Spectroscopic, Microcalorimetric, and Molecular Dynamics Study. Inorganic Chemistry, American Chemical Society, 2016, 55, pp.3498-3507. ⟨10.1021/acs.inorgchem.5b02937⟩. ⟨in2p3-01319195⟩

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