摘要
A Zn(II)based one-dimensional coordination polymer(1D CP),[Zn_(4)(adc)_(4)(4-cltpy)4]·CH_(3)OH·2H_(2)O(1)(H_(2)adc=acetylenedicarboxylic acid and 4-cltpy=4’-chloro-[2,2’;6’,2’’]terpyridine),has been synthesized by a slow diffusion method and characterized by X-ray crystallography.Here,the linear adc ligand acts as the linker between two Zn(II)centers and a chelating 4-cltpy ligand is appended at the metal node.The connectivity of the ligands with metal ions generates a 1D zigzag polymeric chain.The zigzag chains are aggregated through various secondary interactions to construct a three-dimensional(3D)structure.The optical band gap has been determined and correlated with the theoretical band gap calculated by density functional theory(DFT)computations,which reveals that compound 1 possesses semiconducting properties.Moreover,compound 1 shows remarkably high photosensitivity(PS=1134)upon illumination by light.Therefore,compound 1 has the potential to be used in optoelectronic devices and solar cells.
基金
supported by SERB,India(Grant No.SB/FT/CS-185/2012)
B.D.thanks the DST,Government of India for the INSPIRE fellowship
D.D.wishes to acknowledge UGC,Government of India
J.D.thanks JU RUSA 2.0 Post Doctoral Fellowship Scheme for providing financial support.
