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• W2980631610 abstract "Abstract A novel bismuthates(III) complex, (C6H14N)4[BiCl6]Cl·2H2O, was synthesized and characterized by X-ray diffraction and FT-IR spectroscopy. Its structure consists of protonated cyclohexylamine cations, discrete [BiCl6]3− anions, chlorine anions and water molecules. The chlorobismuthate(III) anions alternate with the water molecules O1 as to form hydrogen-bonded helical chain running along the crystallographic b-axis with a period of 17.622 A. These components are connected into a three-dimensional network via hydrogen bonds. In addition, the ground state geometry, vibrational wavenumbers and Natural bond orbital (NBO) analysis were studied by means of density functional theory (DFT/B3LYP) with LanL2DZ basis set. Theoretical results are within the range of the experimental data. The NBO analysis reveals the influence of the N–H…O, N–H…Cl and O H…Cl intermolecular interactions on crystal packing. Moreover, the electrochemical behavior of this complex was investigated in DMSO by cyclic voltammetry (CV)." @default.
• W2980631610 created "2019-10-25" @default.
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• W2980631610 date "2019-12-01" @default.
• W2980631610 modified "2023-10-01" @default.
• W2980631610 title "Structural investigation, Hirshfeld surface analysis, characterization and computational studies of a novel chlorobismuthate(III) complex" @default.
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• W2980631610 doi "https://doi.org/10.1016/j.cdc.2019.100289" @default.
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