Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1400986 | Journal of Molecular Structure | 2016 | 8 Pages |
•Schiff-base ligand.•Mononuclear nickel(II) complex.•X-ray crystal structure and detail analysis.•DFT calculations.
Reaction of a symmetric compartmental Schiff-base ligand, (H2L) with nickel(II) perchlorate hexahydrate in 1:1 M ratio in methanol gives rise to a mononuclear nickel(II) compound, NiL (1). The compound has been characterized by C, H, N microanalyses and UV–Vis spectra. The single crystal X-ray diffraction studies reveal a square planar geometry around the Ni(II) center. The compound crystallizes in monoclinic system with space group C2/c with a = 21.6425(6), b = 9.9481(3), c = 13.1958(4) Å, β = 107.728(2)°, V = 2706.16(14) Å3 and Z = 4. Ground state DFT optimization and TDDFT calculations on the ligand and complex were performed to get their UV–Vis spectral pattern.
Graphical abstractReaction of a symmetric compartmental Schiff-base ligand, (H2L) with nickel(II) perchlorate hexahydrate in 1:1 M ratio in methanol gives rise to a mononuclear nickel(II) compound, NiL (1) which was characterized by single crystal X-ray diffraction studies.Figure optionsDownload full-size imageDownload as PowerPoint slide