Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato-bridged copper(II) complex: μ-oxalato-bis[(2,2’-bipyridine) hydrate copper(II) nitrate]

A combined experimental and theoretical study of an oxalato-bridged copper(II) complex: Crystal structure and <em>Hirshfeld</em> surface analysis of the non-covalent interactions

“…The construction of oxalate-containing homoand hetero-metallics, which have applications as molecular-based magnetic materials, has enhanced the interest in the oxalato compounds. We will describe herein the Hirshfeld surface analysis [5,6] of the intermolecular interactions within our newly published oxalato-bridged copper (II) complex [7]. Moreover, the computational studies [8], accomplished using the HF/LANL2DZ level in gas phase, undertaken on the complex in terms of the optimized structure, the molecular electrostatic potential (MEP) maps and the nuclear magnetic resonance (NMR) will be given.…”