CRYSTAL STRUCTURE AND ELECTRONIC FEATURES OF A TRIS(1,10-PHENANTHROLINE)COPPER(II) NITRATE-4-NITROANILINE COMPLEX

Abstract

A discrete copper(II) complex, tris(1,10-phenanthroline)copper(II) bis(nitrate)-4-nitroaniline, was  structurally characterized to establish its coordination environment and solid-state organization. The Cu(II)  centre is chelated by three 1,10-phenanthroline ligands, forming a six-coordinate, distorted octahedral CuN6  environment. The nitrate ions and 4-nitroaniline molecule remain outside the primary coordination sphere  and contribute to the crystal packing through intermolecular interactions. Electronic-structure analysis  further reveals that the conjugated phenanthroline framework and heteroatom-containing groups make 
substantial contributions to the frontier electronic characteristics of the complex.