Citation: LI Xiu-Mei, PAN Ya-Ru, LIU Bo, ZHOU Shi. Syntheses, Crystal Structures and Theoretical Calculation of Two Cadmium(Ⅱ) Complexes Assembled by Bis(imidazol) Ligands[J]. Chinese Journal of Inorganic Chemistry, ;2019, 35(7): 1275-1282. doi: 10.11862/CJIC.2019.150 shu

Syntheses, Crystal Structures and Theoretical Calculation of Two Cadmium(Ⅱ) Complexes Assembled by Bis(imidazol) Ligands

LI Xiu-Mei ^1,, ,
PAN Ya-Ru ¹ ,
LIU Bo ^2,, ,
ZHOU Shi ²

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

Corresponding author: LI Xiu-Mei, lixm20032006@163.com LIU Bo, 112363305@qq.com
Received Date: 16 January 2019
Revised Date: 24 April 2019

Figures(8)

Two new complexes[Cd(nba)₂(mbix)]₂ (1) and[Cd((bib)₂Br₂]_n (2) (Hnba=4-nitrobenzoic acid, mbix=1, 3-bis(imidazol-1-ylmethyl)benzene, bib=1, 4-bis(imidazol-1-yl)-butane) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, fluorescence spectrum, single-crystal and powder X-ray diffraction. Complex 1 exhibits zero-dimensional framework and display three-dimensional supramolecular network via π-π stacking interactions. Complex 2 shows 2D network with (4, 4) topology. Moreover, we analyzed natural bond orbital (NBO) of 1 and 2 by the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ions.
- hydrothermal synthesis,
- crystal structure,
- cadmium 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]
  Hu J S, Huang L F, Yao X Q, et al. Inorg. Chem., 2011, 50:2404-2414 doi: 10.1021/ic102207n
3. [3]
  Cao R, Sun D F, Liang Y C, et al. Inorg. Chem., 2002, 41:2087-2094 doi: 10.1021/ic0110124
4. [4]
  Forster P M, Burbank A R, Livage C, et al. Chem. Commun., 2004, 33:368-369
5. [5]
  Mahata P, Natarajan S. Inorg. Chem., 2007, 46:1250-1258 doi: 10.1021/ic0617644
6. [6]
  Kesanli B, Cui Y, Smith M R, et al. Angew. Chem. Int. Ed., 2005, 44:72-75 doi: 10.1002/(ISSN)1521-3773
7. [7]
  Wu Q, Cao M J, Wei B, et al. Inorg. Chem. Comm., 2015, 62:111-114 doi: 10.1016/j.inoche.2015.10.035
8. [8]
  Wang Z T, Wang S J, Li X M, et al. Chin. J. Struct. Chem., 2018, 37(3):467-474
9. [9]
  Zhang Z, Pi M, Wang T, et al. J. Mol. Struct., 2011, 1-3:111-116
10. [10]
  Croitor L, Chisca D, Coropceanu E B, et al. J. Mol. Struct., 2017, 6:136-141
11. [11]
  Xing Z, Wang Q W, Sui W, et al. Chin. J. Struct. Chem., 2018, 1:125-130
12. [12]
  LI Guo-Feng, WANG Yan-Nan, WANG Qing-Wei, et al. Chinese J. Inorg. Chem., 2014, 30(11):2577-2583
13. [13]
  Li X M, Sun M, Pan Y R, et al. Chin. J. Struct. Chem., 2016, 35(2):298-306
14. [14]
  LI Guo-Feng, WANG Yan-Nan, WANG Qing-Wei, et al. Chinese J. Inorg. Chem., 2015, 31(1):183-190
15. [15]
  Li X M, Wang Z T, Pan Y R, et al. J. Inorg. Organomet. Polym., 2018, 28:258-267 doi: 10.1007/s10904-017-0738-y
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]
  Kreno L E, Leong K, Farha O K, et al. Chem. Rev., 2012, 112:1105-1125 doi: 10.1021/cr200324t
21. [21]
  Li J D, Long X F, Lin P, et al. Cryst. Growth Des., 2010, 10:146-157 doi: 10.1021/cg9007476
22. [22]
  Wen L, Lu Z, Lin J, et al. Cryst. Growth Des., 2007, 7:93-99 doi: 10.1021/cg0604982
23. [23]
  Lin J G, Zang S Q, Tian Z F, et al. CrystEngComm., 2007, 9:915-921 doi: 10.1039/b708389k
24. [24]
  Mohamed G G, El-Gamel N E A. Spectrochim. Acta Part A, 2004, 60:3141-3154 doi: 10.1016/j.saa.2004.01.035
25. [25]
  Mukhopadhyay U, Bernal I. Cryst. Growth Des., 2005, 5:1687-1689 doi: 10.1021/cg0501940
26. [26]
  Li G L, Liu G Z, Huang L L, et al. J. Inorg. Organomet. Polym., 2014, 24:617-623 doi: 10.1007/s10904-014-0024-1
27. [27]
  Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
28. [28]
  Parr R G, Yang W. Density Functional Theory of Atoms and Molecules. Oxford:Oxford University Press, 1989.
29. [29]
  Ernzerhof M, Scuseria G E. J. Chem. Phys., 1999, 110:5029-5036 doi: 10.1063/1.478401
30. [30]
  Adamo C, Barone V. J. Chem. Phys., 1999, 110:6158-6170 doi: 10.1063/1.478522
31. [31]
  Dunning T H, Hay P J. Modern Theoretical Chemistry. New York:Plenum, 1976, 3:1-28
32. [32]
  LI Zhang-Peng, XING Yong-Heng, ZHANG Yuan-Hong, et al. Acta Phys.-Chim. Sin., 2009, 25(4):741-746 doi: 10.3866/PKU.WHXB20090423
1. [1]
  Lulu DONG , Jie LIU , Hua YANG , Yupei FU , Hongli LIU , Xiaoli CHEN , Huali CUI , Lin LIU , Jijiang WANG . Synthesis, crystal structure, and fluorescence properties of Cd-based complex with pcu topology. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 809-820. doi: 10.11862/CJIC.20240171
2. [2]
  Zhengzheng LIU , Pengyun ZHANG , Chengri WANG , Shengli HUANG , Guoyu YANG . Synthesis, structure, and electrochemical properties of a sandwich-type {Co₆}-cluster-added germanotungstate. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1173-1179. doi: 10.11862/CJIC.20240039
3. [3]
  Xiaoling WANG , Hongwu ZHANG , Daofu LIU . Synthesis, structure, and magnetic property of a cobalt(Ⅱ) complex based on pyridyl-substituted imino nitroxide radical. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 407-412. doi: 10.11862/CJIC.20240214
4. [4]
  Yao HUANG , Yingshu WU , Zhichun BAO , Yue HUANG , Shangfeng TANG , Ruixue LIU , Yancheng LIU , Hong LIANG . Copper complexes of anthrahydrazone bearing pyridyl side chain: Synthesis, crystal structure, anticancer activity, and DNA binding. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 213-224. doi: 10.11862/CJIC.20240359
5. [5]
  Lu LIU , Huijie WANG , Haitong WANG , Ying LI . Crystal structure of a two-dimensional Cd(Ⅱ) complex and its fluorescence recognition of p-nitrophenol, tetracycline, 2, 6-dichloro-4-nitroaniline. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1180-1188. doi: 10.11862/CJIC.20230489
6. [6]
  Xiumei LI , Linlin LI , Bo LIU , Yaru PAN . Syntheses, crystal structures, and characterizations of two cadmium(Ⅱ) coordination polymers. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 613-623. doi: 10.11862/CJIC.20240273
7. [7]
  Yan XU , Suzhi LI , Yan LI , Lushun FENG , Wentao SUN , Xinxing LI . Structure variation of cadmium naphthalene-diphosphonates with the changing rigidity of N-donor auxiliary ligands. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 395-406. doi: 10.11862/CJIC.20240226
8. [8]
  Chao LIU , Jiang WU , Zhaolei JIN . Synthesis, crystal structures, and antibacterial activities of two zinc(Ⅱ) complexes bearing 5-phenyl-1H-pyrazole group. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1986-1994. doi: 10.11862/CJIC.20240153
9. [9]
  Xiaoxia WANG , Ya'nan GUO , Feng SU , Chun HAN , Long SUN . Synthesis, structure, and electrocatalytic oxygen reduction reaction properties of metal antimony-based chalcogenide clusters. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1201-1208. doi: 10.11862/CJIC.20230478
10. [10]
  Kaimin WANG , Xiong GU , Na DENG , Hongmei YU , Yanqin YE , Yulu MA . Synthesis, structure, fluorescence properties, and Hirshfeld surface analysis of three Zn(Ⅱ)/Cu(Ⅱ) complexes based on 5-(dimethylamino) isophthalic acid. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1397-1408. doi: 10.11862/CJIC.20240009
11. [11]
  Huan ZHANG , Jijiang WANG , Guang FAN , Long TANG , Erlin YUE , Chao BAI , Xiao WANG , Yuqi ZHANG . A highly stable cadmium(Ⅱ) metal-organic framework for detecting tetracycline and p-nitrophenol. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 646-654. doi: 10.11862/CJIC.20230291
12. [12]
  Jia JI , Zhaoyang GUO , Wenni LEI , Jiawei ZHENG , Haorong QIN , Jiahong YAN , Yinling HOU , Xiaoyan XIN , Wenmin WANG . Two dinuclear Gd(Ⅲ)-based complexes constructed by a multidentate diacylhydrazone ligand: Crystal structure, magnetocaloric effect, and biological activity. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 761-772. doi: 10.11862/CJIC.20240344
13. [13]
  Yinling HOU , Jia JI , Hong YU , Xiaoyun BIAN , Xiaofen GUAN , Jing QIU , Shuyi REN , Ming FANG . A rhombic Dy₄-based complex showing remarkable single-molecule magnet behavior. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 605-612. doi: 10.11862/CJIC.20240251
14. [14]
  Ruikui YAN , Xiaoli CHEN , Miao CAI , Jing REN , Huali CUI , Hua YANG , Jijiang WANG . Design, synthesis, and fluorescence sensing performance of highly sensitive and multi-response lanthanide metal-organic frameworks. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 834-848. doi: 10.11862/CJIC.20230301
15. [15]
  Juan CHEN , Guoyu YANG . A porous-layered aluminoborate built by mixed oxoboron clusters and AlO₄ tetrahedra. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 193-200. doi: 10.11862/CJIC.20240341
16. [16]
  Xiumei LI , Yanju HUANG , Bo LIU , Yaru PAN . Syntheses, crystal structures, and quantum chemistry calculation of two Ni(Ⅱ) coordination polymers. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 2031-2039. doi: 10.11862/CJIC.20240109
17. [17]
  Yukun CHEN , Kexin FENG , Bolun ZHANG , Wentao SONG , Jianjun ZHANG . Syntheses, crystal structures, and diametrically opposed mechanically-stimulated luminescence response of two Mg(Ⅱ) metal-organic frameworks. Chinese Journal of Inorganic Chemistry, 2025, 41(6): 1227-1234. doi: 10.11862/CJIC.20240448
18. [18]
  Meirong HAN , Xiaoyang WEI , Sisi FENG , Yuting BAI . A zinc-based metal-organic framework for fluorescence detection of trace Cu²⁺. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1603-1614. doi: 10.11862/CJIC.20240150
19. [19]
  Shuyan ZHAO . Field-induced Co^Ⅱ single-ion magnet with pentagonal bipyramidal configuration. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1583-1591. doi: 10.11862/CJIC.20240231
20. [20]
  Hongren RONG , Gexiang GAO , Zhiwei LIU , Ke ZHOU , Lixin SU , Hao HUANG , Wenlong LIU , Qi LIU . High-performance supercapacitor based on 1D cobalt-based coordination polymer. Chinese Journal of Inorganic Chemistry, 2025, 41(6): 1183-1195. doi: 10.11862/CJIC.20250034

Get Citation

PDF

XML

Metrics

PDF Downloads(3)
Abstract views(408)
HTML views(94)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142