Crystal structure, magnetic and optical properties of (2-picoloylcarbonyl) thiosemicarbazonatocopper(II) ([Cu3L2(H2O)2] · 2ClO4 · 3H2O, and L = [C7H8N4OS]2−)

Trinuclear copper(II) complex of [Cu3L2(H2O)2] · 2ClO4 · 3H2O was prepared by the reaction of (2-picoloylcarbonyl)thiosemicarbazone(H2L) and copper perchlorate hydrate, and the magnetic properties and absorption spectra were measured for the title compound, and the origin of third-order optical response was identified in terms of calculated results using density functional theory combined with sum-over-states methods.