X-ray structural and spectroscopic studies of a mononuclear nickel(II) complex with tris(2-pyridylmethyl)amine and thiocyanate

A new nickel(III) complex, [Ni(TPA)(NCS)(2)](H2O)-H-. (1), where TPA = tris(2-pyridylmethyl)amine, was synthesized and its crystal structure was determined. The complex crystallizes in triclinic system, space group P<over bar>1, a = 9.441(3) Angstrom, b = 15.611(4) Angstrom, c = 16.103(4) Angstrom, alpha = 74.869(5)degrees, beta = 88.807(5)degrees, gamma = 76.763(5)degrees, and Z = 2. According to X-ray crystallographic studies, each nickel(II) ion was six-coordinated with four nitrogen atoms of TPA ligand and two nitrogen atoms of NCS_ to form a slightly distorted octahedron. In the cell of the complex are two complex molecule and one H2O molecules. Adjacent complex molecules are connected by hydrogen bonds or pi(...)pi interactions to form three-dimensional network. The IR and UV spectroscopy were measured. The absorption bands of d-d electron transition are assigned, values of Dq and B were calculated according to the electronic spectrum of the complex. The magnetic property at room temperature was investigated. (C) 2003 Elsevier Science B.V. All rights reserved.