A two-dimensional photoluminescent cadmium(II) coordination polymer containing a new coordination mode of pyridine-2,3-dicarboxylate: Synthesis, structure and molecular simulations for gas storage and separation applications

Semerci F., YEŞİLEL O. Z. , SOYLU M. S. , Keskin S., BÜYÜKGÜNGÖR O.

POLYHEDRON, vol.50, no.1, pp.314-320, 2013 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 50 Issue: 1
  • Publication Date: 2013
  • Doi Number: 10.1016/j.poly.2012.10.009
  • Journal Name: POLYHEDRON
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.314-320


A novel two-dimensional (2D) coordination polymer, [Cd(mu-pydc)(2-meim)](n) (1) (pydc = pyridine-2,3-dicarboxylate, 2-meim = 2-methylimidazole) was synthesized and characterized by spectral methods (FT-IR and photoluminescence), elemental analysis, thermal analysis (TG, DTG and DTA) and single crystal X-ray diffraction techniques. Complex 1 displays a 2D layer structure through the linkage of bridging carboxyl oxygen and pyridine nitrogen atoms of the pydc ligand. Each Cd(II) center exhibits a distorted octahedral coordination environment with four carboxylate oxygen atoms and two nitrogen atoms from the pydc and 2-meim ligands. In 1, the pydc ligand exhibits a new coordination mode. The distances of adjacent Cd(II) atoms are 3.679 and 7.742 angstrom. The 2D layers are further linked by C-H.. .pi and pi...pi stacking to construct a 3D supramolecular structure. In order to assess the potential of 1 in gas storage and gas separation applications, molecular simulations were performed. Furthermore, 1 exhibits blue photoluminescence in the solid state at room temperature. (C) 2012 Elsevier Ltd. All rights reserved.