Citation: Wen-Qian WANG, Jun CHEN, Shuai-Hua WANG, Shao-Fan WU. Synthesis, Crystal Structure and Fluorescence Property of a Zinc(II) Coordination Polymer with a Theoretical Calculatio[J]. Chinese Journal of Structural Chemistry, ;2021, 40(1): 79-84. doi: 10.14102/j.cnki.0254–5861.2011–2769 shu

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

Wen-Qian WANG ^{a, b} ,
Jun CHEN ^c ,
Shuai-Hua WANG ^b ,
Shao-Fan WU ^b,,

a.
College of Chemistry and Chemical Engineering, Fujian Normal University, Fuzhou 350117, China
b.
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
c.
School of Ecological Environment and Urban Construction, Fujian University of Technology, Fuzhou 350118, China

Corresponding author: Shao-Fan WU, sfwu@fjirsm.ac.cn
Received Date: 19 February 2020
Accepted Date: 12 May 2020

Fund Project: the National Key Research Project 2017YFB1104504the Financial Support of Fujian Province 2017J05017the Financial Support of Fujian Province 2017H0043the National Natural Science Foundation of China 51872287

Figures(5)

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]-1, 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) Å, β = 95.339(2)º, V = 5272.35(19) Å³, C₆₀H_39.73N₁₃O_13.33Zn₂, M_r = 1286.80, D_c = 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.
- hydrothermal method,
- crystal structure,
- luminescence,
- theoretical calculation
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