Citation: WANG Zhi-Tao, Valentin Valtchev, FANG Qian-Rong, LI Xiu-Mei, PAN Ya-Ru. Syntheses, Crystal Structures and Theoretical Calculation of Three-Dimensional Supramolecular Zinc/Manganese Complex[J]. Chinese Journal of Inorganic Chemistry, ;2018, 34(3): 515-524. doi: 10.11862/CJIC.2018.038 shu

Syntheses, Crystal Structures and Theoretical Calculation of Three-Dimensional Supramolecular Zinc/Manganese Complex

1.
Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China
2.
State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130012, China

Corresponding author: Valentin Valtchev, laowa2017@163.com
Received Date: 7 August 2017
Revised Date: 13 November 2017

Figures(11)

Two new three-dimensional supramolecular complexes {[Zn₂(pzdc)(L)₂(H₂O)]·H₂O}_n (1) and[Mn(μ₂-O)(H₂O)₂(HL)]·NIPH (2) (H₂pzdc=pyrazine-2, 3-dicarboxylic acid, H₂NIPH=5-nitroisophthalic acid, HL=3-(2-pyridyl)pyrazole) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, UV spectrum, TG, fluorescence spectrum, single-crystal and powder X-ray diffraction. Complex 1 shows two-dimensional (2D) network, and complex 2 is zero-dimensional structure. They are further extended into a three-dimensional supramolecular network structure through hydrogen bonds and π-π interactions. Moreover, natural bond orbital (NBO) was analyzed by using the PBE0/LANL2DZ method built in Gaussian 09 program. The calculation results indicate the distinct covalent interaction between the coordinated atoms and Zn(Ⅱ), Mn(Ⅱ) ion, respectively.
- hydrothermal synthesis,
- crystal structure,
- Zn(Ⅱ) complex,
- Mn(Ⅱ) complex,
- natural bond orbital
1. [1]
  Uppadine L H, Lehn J M. Angew Chem. Int. Ed., 2004, 43: 240-243 doi: 10.1002/(ISSN)1521-3773
2. [2]
  WANG Qing-Wei, WANG Ya-Nan, LI Xiu-Mei, et al. Chinese J. Inorg. Chem., 2014, 30(9):2219-2224
3. [3]
  Hou L, Li D, Shi W J, et al. Inorg. Chem., 2005, 44:7825-7832 doi: 10.1021/ic050558d
4. [4]
  Hines C C, Reichert W M, Griffin S T. J. Mol. Struct., 2006, 796:76-85 doi: 10.1016/j.molstruc.2006.03.098
5. [5]
  Wang X L, Qin C, Wang E B, et al. Chem. Eur. J., 2006, 12: 2680-2691 doi: 10.1002/(ISSN)1521-3765
6. [6]
  García-Couceiro U, Castillo O, Luque A, et al. Cryst. Growth Des., 2006, 6:1839-1847 doi: 10.1021/cg0601608
7. [7]
  Hong M C, Zhao Y J, Su W P, et al. Angew. Chem. Int. Ed., 2000, 39:2468-2470 doi: 10.1002/(ISSN)1521-3773
8. [8]
  Hong M C, Zhao Y Z, Su W P, et al. J. Am. Chem. Soc., 2000, 122:4819-4820 doi: 10.1021/ja000247w
9. [9]
  Abrahams B F, Batten S R, Grannas M J, et al. Angew. Chem. Int. Ed., 1999, 38:1475-1477 doi: 10.1002/(ISSN)1521-3773
10. [10]
  Bu X H, Chen W, Lu S L, et al. Angew. Chem. Int. Ed., 2001, 40:3201-3203 doi: 10.1002/(ISSN)1521-3773
11. [11]
  Noro S, Kitaura R, Kondo M, et al. J. Am. Chem. Soc., 2002, 124:2568-2583 doi: 10.1021/ja0113192
12. [12]
  Bu X H, Chen W, Du M, et al. Inorg. Chem., 2002, 41:437-439 doi: 10.1021/ic0107734
13. [13]
  Kasai K, Aoyagi M, Fujita M. J. Am. Chem. Soc., 2000, 122: 2140-2141 doi: 10.1021/ja992553j
14. [14]
  Sun L B, Li Y, Liang Z Q, et al. Dalton Trans., 2012, 41: 12790-12796 doi: 10.1039/c2dt31717f
15. [15]
  Li X M, Pan Y R, Ji J Y, et al. J. Inorg. Organomet. Polym., 2014, 24:836-841 doi: 10.1007/s10904-014-0059-3
16. [16]
  Pan Y R, Sun M, Li X M. Chin. J. Struct. Chem., 2015, 34: 576-584
17. [17]
  Liu Y Y, Ma J F, Yang Y, et al. Inorg. Chem., 2007, 46: 3027-3037 doi: 10.1021/ic061575l
18. [18]
  Sheldrick G M. SHELXS-97, Program for the Solution of Crystal Structure, University of Göttingen, Germany, 1997.
19. [19]
  Sheldrick G M. SHELXL-97, Program for the Refinement of Crystal Structure, University of Göttingen, Germany, 1997.
20. [20]
  Devereux M, Shea D O, Kellett A, et al. Inorg. Biochem., 2007, 101:881-892 doi: 10.1016/j.jinorgbio.2007.02.002
21. [21]
  Farrugia L J, Wing X A. Windows Program for Crystal Structure Analysis, University of Glasgow, UK, 1988.
22. [22]
  Fu Z Y, Wu X T, Dai J C, et al. Eur. J. Inorg. Chem., 2002, 2002:2730-2735 doi: 10.1002/1099-0682(200210)2002:10<2730::AID-EJIC2730>3.0.CO;2-G
23. [23]
  Nakamoto K. Infrared Spectra and Raman Spectra of Inorganic and Coordination Compound. New York: Wiley, 1986.
24. [24]
  Krische M J, Lehn J M. Struct. Bond., 2000, 96:3-29 doi: 10.1007/3-540-46591-X
25. [25]
  Gilbert A, Baggott J. Essentials of Molecular Photochemistry. Oxford, Boston: Blackwell Scientific Publications, 1991.
26. [26]
  Han Z B, He Y K, Ge C H, et al. Dalton Trans., 2007, 36: 3020-3024
27. [27]
  Rendell D. Fluorescence and Phosphorescence. New York: John Willey & Sons, 1987.
28. [28]
  Zheng S L, Chen X M. Aust. J. Chem., 2004, 57:703-712 doi: 10.1071/CH04008
29. [29]
  Mohamed G G, El-Gamel N E A. Spectrochim. Acta Part A, 2004, 60:3141-3154 doi: 10.1016/j.saa.2004.01.035
30. [30]
  Dong M N, He L L, Fan Y J, et al. Cryst. Growth Des., 2013, 13:3353-3364 doi: 10.1021/cg400033s
31. [31]
  Glasson C R K, Meehan G V, Motti C A, et al. Dalton Trans., 2011, 40:10481-10490 doi: 10.1039/c1dt10667h
32. [32]
  Pandey S, Das S S, Singh A K, et al. Dalton Trans., 2011, 40:10758-10768 doi: 10.1039/c1dt10661a
33. [33]
  Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Rev. B.09, Gaussian Inc., Pittsburgh, 2009.
34. [34]
  Parr R G, Yang W. Density Functional Theory of Atoms and Molecules. Oxford: Oxford University Press, 1989.
35. [35]
  Ernzerhof M, Scuseria G E. J. Chem. Phys., 1999, 110:5029-5036 doi: 10.1063/1.478401
36. [36]
  Adamo C, Barone V. J. Chem. Phys., 1999, 110:6158-6170 doi: 10.1063/1.478522
37. [37]
  Perdew J P, Burke K, Ernzerhof M. Phys. Rev. Lett., 1996, 77:3865-3868 doi: 10.1103/PhysRevLett.77.3865
38. [38]
  Perdew J P, Burke K, Ernzerhof M. Phys. Rev. Lett., 1997, 78:1396-1397
39. [39]
  Dunning T H, Hay P J. Modern Theoretical Chemistry: Vol. 3. New York: Plenum, 1976:1-28
40. [40]
  Wang L, Zhao J, Ni L, et al. J. Inorg. Gen. Chem., 2012, 638:224-230
41. [41]
  LI Zhang-Peng, XING Yong-Heng, ZHANG Yuan-Hong, et al. Acta Phys.-Chim. Sin., 2009, 25(4):741-746
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]
  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
3. [3]
  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
4. [4]
  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
5. [5]
  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
6. [6]
  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
7. [7]
  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
8. [8]
  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
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]
  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
11. [11]
  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
12. [12]
  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
13. [13]
  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
14. [14]
  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
15. [15]
  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
16. [16]
  Zhaodong WANG . In situ synthesis, crystal structure, and magnetic characterization of a trinuclear copper complex based on a multi-substituted imidazo[1,5-a]pyrazine scaffold. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 597-604. doi: 10.11862/CJIC.20240268
17. [17]
  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
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]
  Guoju Guo , Xufeng Li , Jie Ma , Yongjia Shi , Jian Lv , Daoshan Yang . Photocatalyst/metal-free sequential C–N/C–S bond formation: Synthesis of S-arylisothioureas via photoinduced EDA complex activation. Chinese Chemical Letters, 2024, 35(11): 110024-. doi: 10.1016/j.cclet.2024.110024

Get Citation

PDF

XML

Metrics

PDF Downloads(2)
Abstract views(436)
HTML views(103)

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