Publication: 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
Program
School College Institute
College of Engineering
KU-Authors
KU Authors
Co-Authors
Semerci, Fatih
Yesilel, Okan Zafer
Soylu, Mustafa Serkan
Buyukgungor, Orhan
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Abstract
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.
Source:
Publisher:
Elsevier
Subject
Chemistry, Inorganic and nuclear chemistry, Crystallography
Citation
Has Part
Source:
Polyhedron
Book Series Title
Edition
DOI
10.1016/j.poly.2012.10.009