Citation: Li YAN, Xue MENG, Yue XU, Wei LIU. Synthesis, Crystal Structure, Theoretical Calculation, and Photophysical Property of a New Cd(II) Complex Based on N-heterocyclic Ligand and Isophthalic Acid[J]. Chinese Journal of Structural Chemistry, ;2021, 40(3): 329-335. doi: 10.14102/j.cnki.0254–5861.2011–2864 shu

Synthesis, Crystal Structure, Theoretical Calculation, and Photophysical Property of a New Cd(II) Complex Based on N-heterocyclic Ligand and Isophthalic Acid

Li YAN ^a,, ,
Xue MENG ^a ,
Yue XU ^a ,
Wei LIU ^b,,

a.
Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Ministry of Education, Jilin Normal University, Siping, Jilin 136000, China
b.
College of Computer Science, Jilin Normal University, Siping, Jilin 136000, China

Corresponding author: Li YAN, yanli820618@163.com Wei LIU,
Received Date: 28 April 2020
Accepted Date: 6 July 2020

Fund Project: National Natural Science Foundation of China 21878120

Figures(8)

A new metal-organic coordination complex [Cd(imp)(m-bdc)]_n (1, ipm = 5-(1H-imidazo[4, 5-f][1, 10] phenanthrolin-2-yl)-2-methoxyphenol, m-bdc = isophthalic acid) has been synthesized by hydrothermal reaction and characterized by elemental analysis, thermogravimetric (TG) analysis, infrared spectrum (IR) and single-crystal X-ray diffraction. Complex 1 crystallizes in monoclinic, space group C2/c with a = 15.373(5), b = 16.719(5), c = 19.406(6) Å, β = 106.995(5)°, V = 4770(2) Å³, C₂₈H₁₈CdN₄O₆, M_r = 618.86, D_c = 1.724 g/cm³, μ(MoKα) = 0.971 mm^–1, F(000) = 2480, Z = 8, the final R = 0.0391 and wR = 0.1044 for 4701 observed reflections (I > 2σ(I)). Single-crystal X-ray diffraction reveals that 1 exhibits a one-dimensional (1D) double-chain architecture, and the H-bond intersections link the 1D double-chain architecture into a 2D layer structure. TG analysis shows clear courses of weight loss, which corresponds to the decomposition of different ligands. We also study the luminescent properties of complex 1. In addition, to elucidate the essential electronic characters of this complex, theoretical calculation analysis was performed by the PBE0/LANL2DZ method in Gaussian 03 Program.
- Cd(II) complex,
- crystal structure,
- fluorescence,
- theoretical calculation
1. [1]
  Long, J. R.; Yaghi, O. M. The pervasive chemistry of metal-organic frameworks. Chem. Soc. Rev. 2009, 38, 1213–1214. doi: 10.1039/b903811f
2. [2]
  Li, H.; Eddaoudi, M.; Keeffe, M. O.; Yaghi, O. M. Design and synthesis of an exceptionally stable and highly porous metal-organic framework. Nature 1999, 402, 276–279. doi: 10.1038/46248
3. [3]
  Swavey, S.; Swavey, R. Dinuclear and polynuclear lanthanide coordination complexes containing polyazine ligands: synthesis and luminescent properties. Coord. Chem. Rev. 2009, 253, 2627–2638. doi: 10.1016/j.ccr.2009.05.015
4. [4]
  Zhang, Q. L.; Liu, J. H.; Ren, X. Z.; Xu, H.; Huang, Y.; Liu, J. Z.; Ji, L. N. A functionalized cobalt(III) mixed-polypyridyl complex as a newly designed DNA molecular light switch. J. Inorg. Biochem. 2003, 95, 194–198. doi: 10.1016/S0162-0134(03)00122-3
5. [5]
  Zhang, J. P.; Chen, X. M. Crystal engineering of binary metal imidazolate and triazolate frameworks. Chem. Comm. 2006, 16, 1689–1699.
6. [6]
  Liu, B.; Guo, J.; Zhou, S.; Wang, Q. W.; Li, X. M.; Li C. B. Synthesis and crystal structure of a two-dimensional coordination polymer constructed by thiophene-2, 5-dicarboxylic acid and 1, 4-bis(imidazol-1-yl)-butane. Chin. J. Struct. Chem. 2013, 32, 199–204.
7. [7]
  Yang, J.; Ma, J. F.; Batten, S. R. Polyrotaxane metal-organic frameworks (PMOFs). Chem. Commun. 2012, 48, 7899–7912. doi: 10.1039/c2cc33060a
8. [8]
  Huang, Y. J.; Yan, Y. S.; Zhang, H. Y. Hydrothermal reaction, structure and magnetic properties of a binuclear cobalt complex with N-donor ligand: 2-methyldipyrido[3, 2-f: 2΄, 3΄-h]quinoxaline. Chin. J. Struct. Chem. 2014, 33, 1580–1586.
9. [9]
  Zhang, S. H.; Feng, C. Microwave-assisted synthesis, crystal structure and fluorescence of novel coordination complexes with Schiff base ligands. J. Mol. Struct. 2010, 977, 62–66. doi: 10.1016/j.molstruc.2010.05.010
10. [10]
  Li, G.; Hou, H. W.; Niu, Y. Y.; Fan, Y. T.; Liu, Z. S.; Ge, T. Z.; Xin, X. Q. Synthesis, crystal structures and magnetic properties of helical double-stranded three-dimensional network [Co(NO₃)₂(bpt)₂·2CH₃OH]_n and two-dimensional network [Mn(NCS)₂(bpt)₃·H₂O]_n (bpt = N, N΄-bis(3-pyridylmethyl)thiourea). Inorg. Chim. Acta 2002, 332, 216–222. doi: 10.1016/S0020-1693(02)00713-2
11. [11]
  Zhang, X. M.; Li, X. B.; Gao, E. Q. Metal-organic supramolecular architectures derived from a new zwitterionic dicarboxylate ligand. J. Coord. Chem. 2011, 64, 244–255. doi: 10.1080/00958972.2010.540651
12. [12]
  Corbella, M.; Gómez, V.; Garcia, B.; Rodriguez, E.; Albela, B.; Maestro, M. A. Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC₆H₄COO and 4-BrC₆H₄COO bridges. Inorg. Chim. Acta 2011, 376, 456–462. doi: 10.1016/j.ica.2011.07.016
13. [13]
  Sheldrick, G. M. SHELXS 97, Program for the Solution of Crystal Structure. University of Göttingen, Germany 1997.
14. [14]
  Sheldrick, G. M. SHELXL 97, Program for the Reﬁnement of Crystal Structure. University of Göttingen, Germany 1997.
15. [15]
  Yang, F.; Ren, Y. X.; Li, D. S.; Fu, F.; Qi, G. C.; Wang, Y. Y. 1D zigzag chain and 0D monomer Cd(II)/Zn(II) compounds based on flexible phenylenediacetic ligand: synthesis, crystal structures and fluorescent properties. J. Mol. Struct. 2008, 892, 283–288. doi: 10.1016/j.molstruc.2008.05.039
16. [16]
  Wang, Z. T.; Li, X. M.; Wang, S. J.; Pan, Y. R. Synthesis, crystal structure and theoretical calculations of a cadmium complex containing 3-hydroxybenzoic acid and 1, 4-bis(imidazol-1-yl)-butane. Chin. J. Struct. Chem. 2018, 3, 467–474.
17. [17]
  Duan, Y. L.; Lin, Z. N.; Stips, T.; Dehnen, S. Solvothermal synthesis of new luminescent zinc(II) coordination polymers with one-dimensional homochiral structures. Z. Anorg. Allg. Chem. 2010, 636, 2535–2538. doi: 10.1002/zaac.201000251
18. [18]
  Wang, R. M.; Zhang, J.; Li, L. J. A 2D metal-organic framework with a flexible cyclohexane-1, 2, 5, 6-tetracarboxylic acid ligand: synthesis, characterization and photoluminescent property. J. Mol. Struct. 2010, 970, 14–18. doi: 10.1016/j.molstruc.2009.09.030
19. [19]
  Zhu, H. L.; Zheng, Y. Q. Three new butane-1, 2, 3, 4-tetracarboxylato-bridged coordination polymers: syntheses, crystal structures and characterization. J. Mol. Struct. 2010, 970, 27–35. doi: 10.1016/j.molstruc.2010.01.056
20. [20]
  Pochodylo, A. L.; LaDuca, R. L. Substituent dependent dimensionality in luminescent zinc isophthalate coordination polymers containing bis(3-pyridylmethyl)piperazine. Z. Anorg. Allg. Chem. 2010, 636, 2568–2573. doi: 10.1002/zaac.201000321
21. [21]
  Hay, P. J.; Wadt, W. R. Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg. J. Chem. Phys. 1985, 82, 270–283. doi: 10.1063/1.448799
22. [22]
  Hay, P. J.; Wadt, W. R. Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals. J. Chem. Phys. 1985, 82, 299–310. doi: 10.1063/1.448975
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