Citation: LI Xiu-Mei, PAN Ya-Ru, LIU Bo, ZHOU Shi, CHANG Ying-Fei. Syntheses, Crystal Structures and Theoretical Calculations of Cadmium/Zinc Supramolecular Coordination Compounds[J]. Chinese Journal of Inorganic Chemistry, ;2018, 34(10): 1923-1928. doi: 10.11862/CJIC.2018.225 shu

Syntheses, Crystal Structures and Theoretical Calculations of Cadmium/Zinc Supramolecular Coordination Compounds

LI Xiu-Mei ^1,, ,
PAN Ya-Ru ¹ ,
LIU Bo ^2,, ,
ZHOU Shi ² ,
CHANG Ying-Fei ³

1.
Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China
2.
Key Laboratory of Preparation and Applications of Environmental Friendly Materials(Ministry of Education), Jilin Normal University, Siping, Jilin 136000, China
3.
Faculty of Chemistry, Northeast Normal University, Changchun 130024, China

Corresponding author: LI Xiu-Mei, lixm20032006@163.com LIU Bo, 112363305@qq.com
Received Date: 27 May 2018
Revised Date: 29 June 2018

Figures(6)

Two new metal-organic supramolecular coordination compounds[Cd(cba)₂(bix)]₂ (1) and[Zn(cba)₂(bix)]₂ (2) (Hcba=2-chlorinebenzoic acid, bix=1, 4-bis(imidazol-1-ylmethyl) benzene) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG, fluorescence spectrum, single-crystal and powder X-ray diffraction. Complexes 1 and 2 are isomorphism, and all exhibit zero-dimensional framework and display three-dimensional supramolecular network via π-π stacking interactions. In addition, natural bond orbital (NBO) of 1 were analyzed by using the PBE0/LANL2DZ method built in Gaussian09 program. The calculation results showed the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.
- hydrothermal synthesis,
- crystal structure,
- cadmium complex,
- zinc complex,
- natural bond orbital
1. [1]
  Noro S, Kitaura R, Kondo M, et al. J. Am. Chem. Soc., 2002, 124:2568-2583 doi: 10.1021/ja0113192
2. [2]
  Dybtsev D N, Chun H, Kim K. Angew. Chem., Int. Ed., 2004, 43:50335036
3. [3]
  ZHANG Zhong-Qiang, HUANG Ru-Dan, XU Yan-Qing, et al. Chem. J. Chinese Universities, 2008, 29:1528-1531 doi: 10.3321/j.issn:0251-0790.2008.08.007
4. [4]
  Ma L, Wu C D, Wanderley M M, et al. Angew. Chem. Int. Ed., 2010, 49:8244-8248 doi: 10.1002/anie.v49:44
5. [5]
  Atkins R, Brewer G, Kokot E, et al. Inorg. Chem., 1985, 24:127-134 doi: 10.1021/ic00196a003
6. [6]
  Liu G Z, Xin L Y, Wang L Y. CrystEngComm, 2011, 13:3013-3020 doi: 10.1039/c0ce00873g
7. [7]
  Yan L, Li C B, Cui D, et al. Chin. J. Struct. Chem., 2015, 34:221-226
8. [8]
  Li X L, Liu G Z, Xin L Y. Chin. J. Struct. Chem., 2013, 6:871-876
9. [9]
  Zhang Q L, Liu J H, Ren X Z, et al. J. Inorg. Biochem., 2003, 95:194-198 doi: 10.1016/S0162-0134(03)00122-3
10. [10]
  Yang J, Ma J F, Liu Y Y, et al. Cryst. Growth Des., 2009, 9:1894-1911 doi: 10.1021/cg801085d
11. [11]
  Ye B H, Tong M L, Chen X M. Coord. Chem. Rev., 2005, 249:545-565 doi: 10.1016/j.ccr.2004.07.006
12. [12]
  Li X M, Niu Y L, Wang Q W, et al. Chin. J. Struct. Chem., 2010, 7:1122-1126
13. [13]
  LI Guo-Feng, WANG Yan-Nan, WANG Qing-Wei, et al. Chinese J. Inorg. Chem., 2014, 11:2577-2583
14. [14]
  Li X M, Sun M, Pan Y R, et al. Chin. J. Struct. Chem., 2016, 2:298-306
15. [15]
  LI Guo-Feng, WANG Yan-Nan, WANG Qing-Wei, et al. Chinese J. Inorg. Chem., 2015, 1:183-190
16. [16]
  Sheldrick G M. SHELXS 97, Program for the Solution of Crystal Structure, University of Göttingen, Germany, 1997.
17. [17]
  Sheldrick G M. SHELXL 97, Program for the Refinement of Crystal Structure, University of Göttingen, Germany 1997.
18. [18]
  Gilbert A, Baggott J. Essentials of Molecular Photochemistry. Boca Raton:CRC Press, 1991.
19. [19]
  Han Z B, He Y K, Ge C H, et al. Dalton Trans., 2007, 46:3020-3024
20. [20]
  Mizukami S, Houjou H, Sugaya K, et al. Chem. Mater., 2005, 17:50-56 doi: 10.1021/cm049744s
21. [21]
  Tang C W, Vanslyke S A. Appl. Phys. Lett., 1987, 51:913-915 doi: 10.1063/1.98799
22. [22]
  Zheng S L, Chen X M. Aust. J. Chem., 2004, 57:703-712 doi: 10.1071/CH04008
23. [23]
  Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian09, revision B.09, Gaussian, Inc., Pittsburgh, 2009.
24. [24]
  Parr R G, Yang W. Density Functional Theory of Atoms and Molecules. Oxford:Oxford University Press, 1989.
25. [25]
  Ernzerhof M, Scuseria G E. J. Chem. Phys., 1999, 110:5029-5036 doi: 10.1063/1.478401
26. [26]
  Adamo C, Barone V. J. Chem. Phys., 1999, 110:6158-6170 doi: 10.1063/1.478522
27. [27]
  Perdew J P, Burke K, Ernzerhof M. Phys. Rev. Lett., 1996, 77:3865-3868 doi: 10.1103/PhysRevLett.77.3865
28. [28]
  Perdew J P, Burke K, Ernzerhof M. Phys. Rev. Lett., 1997, 78:1396-1397
29. [29]
  Dunning T H, Hay Jr P J. Modern Theoretical Chemistry. New York:Plenum, 1976:1-28
30. [30]
  Wang L, Zhao J, Ni L, et al. J. Inorg. Gen. Chem., 2012, 638:224-230
31. [31]
  LI Zhang-Peng. XING Yong-Heng, ZHANG Yuan-Hong, et al. Acta Phys.-Chim. Sin., 2009, 25:741-746 doi: 10.3866/PKU.WHXB20090423
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