Citation: Hua ZHANG, Tong-Tong XU, Tian-Yi XING, Xue-Ying WANG, Jia-Mei ZUO, Zhi-Guo KONG. Two New Coordination Complexes Based on 2,2'-H₂biimidazole: Synthesis, Structure, Luminescent Property and Theoretical Calculation[J]. Chinese Journal of Structural Chemistry, ;2020, 39(8): 1451-1457. doi: 10.14102/j.cnki.0254–5861.2011–2711 shu

Two New Coordination Complexes Based on 2,2'-H₂biimidazole: Synthesis, Structure, Luminescent Property and Theoretical Calculation

Hua ZHANG ^{a, b, c} ,
Tong-Tong XU ^c ,
Tian-Yi XING ^c ,
Xue-Ying WANG ^c ,
Jia-Mei ZUO ^c ,
Zhi-Guo KONG ^{a, b, c,,}

a.
Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Jilin Normal University, Ministry of Education, Changchun 130103, China
b.
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Ministry of Education, Changchun 130103, China
c.
Department of Chemistry, Jilin Normal University, Siping 136000, China

Corresponding author: Zhi-Guo KONG, kongzhiguo2007@163.com
Received Date: 23 December 2019
Accepted Date: 9 May 2020

Fund Project: the National Natural Science Foundation of China 21607051

Figures(7)

Two new coordination complexes [Cd(L)₂(1,2,3-HBTC)]·3H₂O (1) and {[Zn(L)(1,2-BDC)]·H₂O}_n (2) were synthesized under hydrothermal conditions (1,2,3-H₃BTC = 1,2,3-tricarboxybenzene, 1,2-H₂BDC = 1,2-dicarboxybenzene and L = 2,2'-H₂biimidazole). 1 crystallizes in monoclinic, space group P2₁/c with a = 12.256(5), b = 11.620(5), c = 17.479(5) Å, β = 95.548(5)^o, V = 2477.6(16) Å³, Z = 4, C₂₁H₂₂N₈O₉Cd, M_r = 642.86, D_c = 1.724 g/cm³, F(000) = 1296, μ(MoKa) = 0.950 mm^–1, R = 0.0546 and wR = 0.1724. 2 belongs to the monoclinic system, space group P2₁/c with a = 7.408(4), b = 20.743(10), c = 10.194(5) Å, β = 95.648(6)^o, V = 1477.3(12) Å³, Z = 4, C₁₄H₁₂N₄O₅Zn, M_r = 381.65, D_c = 1.716 g/cm³, F(000) = 776, μ(MoKa) = 1.698 mm^–1, R = 0.0574 and wR = 0.1632. The central Cd(II) ion in 1 is coordinated with five atoms, forming a slightly distorted square-pyramidal geometry. The central Zn(II) ion in 2 is four-coordinated by two nitrogen atoms from one L ligand and two oxygen atoms from two different 1,2-BDC anions. In addition, luminescent property of 1 has been investigated, and natural bond orbital (NBO) analysis of 2 has been calculated by the B3LYP/LANL2DZ method.
- structure,
- coordination complex,
- 2,2'-H₂biimidazole,
- luminescent property
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Two New Coordination Complexes Based on 2,2'-H2biimidazole: Synthesis, Structure, Luminescent Property and Theoretical Calculation

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通讯作者: 陈斌, bchen63@163.com

Two New Coordination Complexes Based on 2,2'-H₂biimidazole: Synthesis, Structure, Luminescent Property and Theoretical Calculation