Physical Properties and Electronic Structure Study of the 1-(2-aminoethyl) Piperaziniumtrichlorocuprate (II) Monohydrate

The {[}(C6H16N3)CuCl3] compound crystallizes in the monoclinic system with P21/n space group. The copper (II) ion is five-coordinated by two nitrogen atoms form the bidentate 1-(2-aminoethyl) piperazinium cation and three chloride ions in a distorted square-pyramidal environment. Magnetic susceptibility and hysteresis-loop measurements are reported. The magnetic susceptibility shows a maximum around 4 K and decreases gradually. Below this temperature, the system is antiferromagnetic with a weak moment. The electronic structure calculation based on the Full potential Linearized Augmented Plane Wave (FLAPW) method is also performed to shed light on magnetic and electronic structures. The experimental results are in agreement with theoretical studies.