Synthesis,Crystal Structure and Quantum Chemistry of a Pb(Ⅱ)Coordination Polymer Based on Adipic Aci

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A new Pb(Ⅱ)coordination polymer,[Pb(adip)(L)2]n(1,H2adip=adipic acid,L=2-(4-N,N\'-dimethylphenyl)-1-H-imidazo[4,5-f][1,10]phenanthroline),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction,powder XRD,FT-IR,thermogravimetric,fluorescence spectrum and elemental analysis techniques.Complex 1 crystallizes in triclinic system,space group P1 with a=11.406(3),b=12.036(4),c=17.520(5)?,V=2228.3(11)?3,Mr=1028.09,Dc=1.532 g·cm-3,F(000)=1024,μ(MoKα)=3.842,Rint=0.0274 andZ=2.The final R=0.1055 and wR=0.3277 for 6954 observed reflections withI>2σ(I).It features a one-dimensional chain linked by adip2-ligand.Moreover,complex 1 exhibits strong green luminescence with emission peak of 514 nm.In addition,the quantum-chemical calculations were accomplished on\'molecular fragments\'extracted from the crystal structure of 1 using the PBE0/LANL2DZ method built in Gaussian 16 Program.The calculation values denoted the distinct covalent interaction between the coordinated atoms and Pb(Ⅱ)ion.
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