Two new mononuclear Nickel(II) Schiff base complexes [NiL2] (1) and [NiL2(DMSO)2] (2) where HL is 2,4-dibromo-6-[(E)-{[2-(thiophen-2-yl)ethyl]imino}methyl]phenol, a bidentate Schiff base prepared from the condensation reaction of 2-thiopheneethylamine and 3,5dibromosalicylaldehyde, have been made. Complexes 1-2 are characterized by FTIR, UV-Vis. absorption spectra, TGA analysis (for 2), and single-crystal X-ray diffraction studies. Complexes 1-2 crystallize in a similar space group P21/c as a monoclinic system. X-ray crystallography data indicate that complex 1 has a distorted square planar geometry whereas 2 has distorted octahedral geometry. Using the crystallographic data, the Hirshfeld surface (HS) analysis was also carried out to examine the nature and quantitative contribution of all potential non-covalent intermolecular interactions inside the crystal lattice. Supramolecular chains in 1 through Br∙∙∙Br and π∙∙∙π interactions and in 2 via C‒Br∙∙∙π intermolecular interactions have been observed. The interaction energies between molecules within the crystals were computed to get idea about molecular packing stabilization.

Synthesis, crystal structure, Hirshfeld surface analysis and characterization of two new mononuclear Ni(II) complexes / Mandal, U.; Rizzoli, C.; Chakraborty, B.; Bandyopadhyay, D.; Mandal, S.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1302:(2024). [10.1016/j.molstruc.2023.137420]

Synthesis, crystal structure, Hirshfeld surface analysis and characterization of two new mononuclear Ni(II) complexes

Rizzoli C.;
2024-01-01

Abstract

Two new mononuclear Nickel(II) Schiff base complexes [NiL2] (1) and [NiL2(DMSO)2] (2) where HL is 2,4-dibromo-6-[(E)-{[2-(thiophen-2-yl)ethyl]imino}methyl]phenol, a bidentate Schiff base prepared from the condensation reaction of 2-thiopheneethylamine and 3,5dibromosalicylaldehyde, have been made. Complexes 1-2 are characterized by FTIR, UV-Vis. absorption spectra, TGA analysis (for 2), and single-crystal X-ray diffraction studies. Complexes 1-2 crystallize in a similar space group P21/c as a monoclinic system. X-ray crystallography data indicate that complex 1 has a distorted square planar geometry whereas 2 has distorted octahedral geometry. Using the crystallographic data, the Hirshfeld surface (HS) analysis was also carried out to examine the nature and quantitative contribution of all potential non-covalent intermolecular interactions inside the crystal lattice. Supramolecular chains in 1 through Br∙∙∙Br and π∙∙∙π interactions and in 2 via C‒Br∙∙∙π intermolecular interactions have been observed. The interaction energies between molecules within the crystals were computed to get idea about molecular packing stabilization.
2024
Synthesis, crystal structure, Hirshfeld surface analysis and characterization of two new mononuclear Ni(II) complexes / Mandal, U.; Rizzoli, C.; Chakraborty, B.; Bandyopadhyay, D.; Mandal, S.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1302:(2024). [10.1016/j.molstruc.2023.137420]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11381/2983635
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