A one‐dimensional copper(II) coordination polymer incorporating succinate and N,N‐diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis

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-κ2O1:O4] tetra­hydrate], {[Cu(C4H4O4)(C6H16N2)]·4H2O}n or {[Cu(succ)(deed)]·4H2O}n. Each carboxyl­ate group of the succinate ligand coordinates to a CuII atom in a monodentate fashion, giving rise to a square-planar 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).