Synthesis,Crystal Structure and Fluorescence Property of a Zinc(Ⅱ)Coordination Polymer with a Theoretical Calculatio

• 作者: WANG Wen-Qian CHEN Jun WANG Shuai-Hua WU Shao-Fan
• 来源期刊: 结构化学
• 年，卷（期）: 2021,（1）
• 所属期刊栏目: coordination cbemistry
• 页码范围: 79-84
• 页数: 6页
• 语种: 英文
• DOI: 10.14102/j.cnki.0254-5861.2011-2769

摘要

We have designed and synthesized a new luminescent coordination polymer[Zn2(NO3)(NCP)3(H2O)3]n·2nH2O(1,HNCP = 2-(2-carboxyphenyl)imidazo-[4,5-f]-l,10-phenanthroline)under hydrothermal conditions,which has been structurally characterized by single-crystal X-ray diffraction analyses.1 crystallizes in monoclinic,space group P21/n,with a = 13.7748(3),b = 19.2651(4),c = 19.9543(4)?,β =95.339(2)°,V= 5272.35(19)?3,C60H39.73N13O13.33Zn2,Mr = 1286.80,Dc = 1.621 g/cm3,Z = 4,μ(MoKa)= 2.118,F(000)= 2629,the final R = 0.0598 and wR= 0.1483.In 1,the organic ligand NCP-displays two different bridging modes to connect adjacent Zn(Ⅱ)ions into a 1D chain along the c-direction.Photoluminescent analyses reveal that 1 exhibits a strong green emission with a fluorescent lifetime of 5.57 ns.The first-principle calculation results show that the luminescence mainly originates from ligand-centered charge transition.