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Synthesis, crystal structure, spectroscopic study and Hirshfeld surface analysis of [Ni(C6H8N2)3]Cl2.2(H2O) (1)

Abstract : The title compound, [Ni(C 6 H 8 N 2 ) 3 ]Cl 2 .2(H 2 O), was synthesized by slow evaporation method at room tem- perature. The structural study by X–ray diffraction indicate that this compound crystallize in the tri- clinic system, P-1 space group with a = 10.222(2) ˚A, b = 10.757(2) ˚A, c = 11.441(3) ˚A, α= 114.30(4) °, β= 99.43(3) °and γ= 93.01(3) °. The structure is formed by the cation [Ni(C 6 H 8 N 2 ) 3 ] 2 + , tow chloride an- ions and two molecules water of crystallization. The nickel (II) atom is coordinated to six nitrogen donors from three neutral 2-AMP ligands, adopting a slightly distorted octahedral geometry. The crystal struc- ture is stabilized by strong hydrogen bonds of N–H…Cl, O–H…Cl, C–H…Cl and π–πinteractions to ob- tained three–dimensional network. The newly prepared compound was characterized by XRD, Infrared, UV–Vis spectroscopy and Hirshfeld surface (3D-HS) analysis. Vibrational analysis of the compound was realized by infrared spectroscopy. The optical properties of the crystal were studied using optical absorp- tion UV–visible spectroscopy which confirmed the semiconducting properties by revealing a direct optical band. Hirshfeld Surface projections and Fingerprint plots were elucidated the relative contribution of the H…Cl, C…H, C…C, C…N, H…O intermolecular contacts in the crystal.
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Contributeur : Stéphanie Bonnefoy <>
Soumis le : mardi 24 novembre 2020 - 08:57:28
Dernière modification le : mercredi 25 novembre 2020 - 03:09:35


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W. Jbali, W. Selmi, L. Jouffret, R. Marzouki, M.F. Zid. Synthesis, crystal structure, spectroscopic study and Hirshfeld surface analysis of [Ni(C6H8N2)3]Cl2.2(H2O) (1). Journal of Molecular Structure, Elsevier, 2021, 1225, pp.129123. ⟨10.1016/j.molstruc.2020.129123⟩. ⟨hal-03014455⟩



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