Modulation in pi center dot center dot center dot pi, cation center dot center dot center dot pi and C-H center dot center dot center dot H-C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study

作者：Bhattacharyya Anik; Bauza Antonio; Frontera Antonio; Chattopadhyay Shouvik

来源：Polyhedron, 2016, 119: 451-459.

DOI：10.1016/j.poly.2016.08.047

• Nickel(II)
• Schiff base
• Crystal structure
• DFT study
• Non-covalent interactions

Two mononuclear square planar nickel(II) complexes, [Ni(HL)(2)](ClO4)(2) (1) and [Ni(HL)(2)]Cl-2 center dot 2H(2)O (2), [where HL = 3-(dimethylaminopropyliminomethyl)naphthalen-2-ol] have been synthesized and characterized by elemental and spectral analysis. The structures have been confirmed by single crystal X-ray diffraction studies. In each complex, the Schiff base is present in its zwitterionic form. Interesting supra-molecular networks were generated through various non-covalent forces. Density functional theory (DFF) calculations were employed to estimate the contribution of each interaction in the formation of the assembly using several theoretical models.

• 出版日期2016-11-24