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

ŞEN F., KANSIZ S., UÇAR İ.

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, vol.73, pp.517-524, 2017 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 73
  • Publication Date: 2017
  • Doi Number: 10.1107/s2053229617008452
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.517-524
  • Keywords: one-dimensional coordination polymer, copper(II), DFT, succinic acid, N,N-diethylethylenediamine, Hirshfeld surface, crystal structure, water cluster, vibrational, METAL-ORGANIC FRAMEWORKS, PHOTOCATALYTIC CO2 REDUCTION, ELECTRICAL-CONDUCTIVITY, MAGNETIC-PROPERTIES, CR(VI) REDUCTION, SEPARATION, 3-PYRIDYLMETHYLNICOTINAMIDE, LUMINESCENCE, DENSITY, CD(II)
  • Yozgat Bozok University Affiliated: Yes

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 (H(2)succ) and N, N-diethylethylenediamine (deed) in basic solution produces the complex catena-poly[[[(N,N-diethylethylenediamine-kappa(2) N,N') copper(II)]-mu-succinato-kappa O-2(1):O-4] tetrahydrate], {[Cu(C4H4O4)(C6H16N2)]center dot 4H(2)O}(n) or {[Cu(succ)(deed)]center dot 4H(2)O}(n). Each carboxylate group of the succinate ligand coordinates to a Cu-II atom in a monodentate fashion, giving rise to a squareplanar coordination environment. The succinate ligands bridge the Cu-II 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 (R-2 similar to 0.97).