A One-Dimensional Copper(II) Coordination Polymer Incorporating Succinate and N,N-Diethylethylenediamine Ligands: Crystallographic Analysis, Vibrational and Surface Features, and DFT Analysis

Abstract

Transition metal atoms can be bridged by aliphatic dicarboxylate ligands to produce chains, layers and frameworks. The reaction of copper sulfate with succinic acid (H2succ) and N,N-diethylethylenediamine (deed) in basic solution produces the complex catena-poly[[[(N,N-diethylethylenediamine-κ2N,N')copper( II)]-μ-succinato-κ2O<inf>1</inf>:O<inf>4</inf>] tetrahydrate], {[Cu(C<inf>4</inf>H<inf>4</inf>O<inf>4</inf>)(C<inf>6</inf>H<inf>16</inf>N<inf>2</inf>)] 4H<inf>2</inf>O}n or {[Cu(succ)(deed)] 4H<inf>2</inf>O}<inf>n</inf>. Each carboxylate group of the succinate ligand coordinates to a CuII atom in a monodentate fashion, giving rise to a squareplanar coordination environment. The succinate ligands bridge the CuII centres to form one-dimensional polymeric chains. Hydrogen bonds between the ligands and water molecules link these chains into sheets that lie in the ab plane. Density functional theory (DFT) calculations were used to support the experimental data. From these calculations, a good linear correlation was observed between the experimental and theoretically predicted structural and spectroscopic parameters (R2 ∼ 0.97). © 2017 International Union of Crystallography.