Citation: GUO Rui, LIU Guang, ZHANG Yang, LI Chao-Yang, QI Jing-Yu, LIU Xuan-Wen, SU Na. Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer[Zn(HMICD)(bpy)]_n·2nH₂O[J]. Chinese Journal of Structural Chemistry, ;2016, 35(9): 1420-1426. doi: 10.14102/j.cnki.0254-5861.2011-1140 shu

Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer[Zn(HMICD)(bpy)]_n·2nH₂O

1.
Northeastern University at Qinhuangdao BRANCH, Qinhuangdao, Hebei 066004, China

Received Date: 19 January 2016
Available Online: 18 March 2016
Fund Project: Supported by Fundamental Research Foundation of Central Universities(No.142304007) Basic Key Program of Applied Basic Research of Science and Technology Commission Foundation of Hebei Province(No.15961005D) Natural Science Foundation of Liaoning Province(No.2015020665) (No.142304007)

A new one-dimensional(1D) polymer,[Zn(HMIDC)(bpy)]_n·2nH₂O(1, H₃MIDC=2-methyl-imidazole-4,5-dicarboxylic acid, bpy=2,2'-bipyridine), has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, UV-vis spectrum and fluorescence measurements. Complex 1 crystallizes in orthorhombic system, space group Pbca with a=14.404(3), b=8.6900(17), c=26.570(5)Å, V=3325.8(11)Å³, D_c=1.700 g/cm³, M_r=425.70, Z=8, F(000)=1744, μ=1.522 mm^-1, the final R=0.0421 and wR=0.1018. The Zn(Ⅱ) ion is six-coordinated by O and N atoms from one HMIDC ligand, two O atoms from another HMIDC ligand and two N atoms from the bpy ligand. The HMIDC anion, which acts as a tetradentate ligand, chelates two Zn ions to form a one-dimensional(1D) zigzag chain structure. We analyzed the electronic structure and orbital energies of complex 1 by DFT methods, and the results are consistent with the UV-vis spectrum. And we also discussed the luminescent mechanism of complex 1 in detail.
- 2-methyl-imidazole-4,5-dicarboxylic acid,
- solvothermal synthesis,
- 1D structure,
- DFT,
- fluorescence properties
1. [1]
  GUO Rui , QI Xi-Wei , XIE Cheng-Zhi , ZHONG Bing-Wen , LIU Xuan-Wen , ZHANG Yue-Hong , SU Na . Synthesis, Crystal Structure, Magnetic Property and DFT Study of a Novel 2D Polymer[Cu(pdc)(bpy)]·H₂O. Chinese Journal of Structural Chemistry, 2014, 33(2): 270-276.
2. [2]
  Wei Guo ZHU , Xiao Qiang WEI , Zhi Yun LU , Qing JIANG , Ming Gui XIE . Synthesis and Fluorescent Properties of New Binuclear Europium β-Diketone Chelates Eu_mY_1-m(TTA)3phen as Red Electroluminescent Materials. Chinese Chemical Letters, 1999, 10(7): 603-606.
3. [3]
  Yong-Lan FENG , Wu-Jiu JIANG , Fu-Xing ZHANG , Dai-Zhi KUANG . Solvothermal Synthesis, Structure, and Fluorescence Properties of Four Organotin Complexes Based on m-Phthaloyl Bis(substituted salicylaldehyde acylhydrazone). Chinese Journal of Inorganic Chemistry, 2022, 38(6): 1171-1179. doi: 10.11862/CJIC.2022.105
4. [4]
  LIN Xiao-Ying , YANG Pan , CHEN Jun , LIU Ming-Hua , LIN Cheng . Solvothermal Synthesis, Crystal Structure and Photoluminescence Property of a 3D Lead(II) Coordination Polymer Based on Terephthalic Acid. Chinese Journal of Structural Chemistry, 2016, 35(1): 61-68. doi: 10.14102/j.cnki.0254-5861.2011-0948
5. [5]
  ZHAO Li-Jia , ZHAORI Getu , HAN Wen-Jing , BAIYIN Menghe . Solvothermal Synthesis and Characterization of [TM(1,2-dap)₃]HgSb₂Se₅(TM=Co, Fe) with a Chain Structure. Chinese Journal of Structural Chemistry, 2016, 35(8): 1222-1230. doi: 10.14102/j.cnki.0254-5861.2011-1044
6. [6]
  Sheng-Nan LU , Feng-Xiang SHI , Wen-Shi WU , Zhi-Long QUAN . Three Zinc(Ⅱ) Complexes Based on 2-Carboxylic Acid-4-nitropyridine-1-oxide: Synthesis, Crystal Structure, and Fluorescence Properties. Chinese Journal of Structural Chemistry, 2020, 39(2): 340-349. doi: 10.14102/j.cnki.0254–5861.2011–2406
7. [7]
  Xiong Xianlian , Zhao Yanchao , Yang Bao , Huang Tinghong . Study on Synthesis, Structure, Theoretical Caleulations and Luminescent Properties of a Dinuclear Copper Complex with π-π Interaction. Chemistry, 2018, 81(7): 598-603.
8. [8]
  MUHAMMAD Naeem Ahmeda , KHAWAJA Ansar Yasina , TARIQ Mahmood , FATIMA Wasim , MUHAMMAD Haleem Khan , M. NAWAZ Tahir , SAFEENA Zafar , SHAISTA Anjum . Synthesis and Structural Investigations of New 4-Hexyl-1-(4-nitrophenyl)-1-H-1,2,3-triazole: An Experimental and Theoretical Insight. Chinese Journal of Structural Chemistry, 2015, 34(12): 1830-1840. doi: 10.14102/j.cnki.0254-5861.2011-0864
9. [9]
  XU Jun , MA De-Yun , QIN Liang . A New 2D Barium-organic Framework Built from 1H-Benzimidazole-5,6-dicarboxylate with Luminescent and Antibacterial Studies. Chinese Journal of Structural Chemistry, 2014, 33(3): 387-394.
10. [10]
  Han ZHANG , Xiang LI , Yaseen MUHAMMAD , Hui-Feng XIE , Yi-Han ZANG , Ming-Lu FANG , Shao-Jie LIU , Hao WANG . Synthesis, Crystal Structure and Fluorescent Properties of a 1D Europium Coordination Polymer with 2,5-Furandicarboxylic Acid. Chinese Journal of Structural Chemistry, 2022, 41(3): 2203092-2203099. doi: 10.14102/j.cnki.0254-5861.2011-3303
11. [11]
  XUE Li-Ping , LIU Yue-Cheng , HAN Yun-Hu , LI Qi-Peng , TIAN Chong-Bin , LIN Ping , DU Shao-Wu . A New Acentric Heterometallic Inorganic-organic Hybrid Framework[ZnK₂(m-BDC)₂(H₂O)₂]_n:Fluorescent, NLO and Ferroelectric Properties. Chinese Journal of Structural Chemistry, 2014, 33(9): 1360-1366.
12. [12]
  TAN Hai-Yan , LIU Cheng , WANG Zhao-Hui , WU Jin-Ping . Simple Preparation, Structure and Conductivity of Nickel(Ⅱ) Benzenetricarboxylate Ni₃(BTC)₂·12H₂O. Chinese Journal of Structural Chemistry, 2014, 33(3): 401-406.
13. [13]
  YU Jiang-Xi , KUANG Dai-Zhi , FENG Yong-Lan , ZHU Xiao-Ming , JIANG Wu-Jiu , ZHANG Fu-Xing . Solvothermal Syntheses, Crystal Structures, Thermal Stability and Quantum Chemistry of Dinuclear Trialkyltin Complexes Constructed by Camphoric Acid. Chinese Journal of Structural Chemistry, 2014, 33(10): 1521-1526.
14. [14]
  SONG Mei-Yue , HUANG Yuan-Yuan , ZHANG Xin , YAO Yuan-Gen . Synthesis, Structure and Luminescent Property of a New bnn-type Zn(Ⅱ) Coordination Polymer. Chinese Journal of Structural Chemistry, 2014, 33(8): 1222-1226.
15. [15]
  Shahl Hamedani , Shahram Moradi , Hossein Aghaie . Adsorption of Folic Acid on the Single-walled Carbon Nanotubes: AIM and NBO Analyses via DFT. Chinese Journal of Structural Chemistry, 2015, 34(8): 1161-1169. doi: 10.14102/j.cnki.0254-5861.2011-0677
16. [16]
  Shahla Hamedani , Hossein Aghaie . Molecular Structure and Theoretical Thermodynamic Study of Folic Acid Based on the Computational Approach. Chinese Journal of Structural Chemistry, 2015, 34(9): 1307-1316. doi: 10.14102/j.cnki.0254-5861.2011-0688
17. [17]
  Lijun Zhang , Youlin Wu , Noritatsu Tsubaki , Zhiliang Jin . 2D/3D S-Scheme Heterojunction Interface of CeO₂-Cu₂O Promotes Ordered Charge Transfer for Efficient Photocatalytic Hydrogen Evolution. Acta Physico-Chimica Sinica, 2023, 39(12): 2302051-0. doi: 10.3866/PKU.WHXB202302051
18. [18]
  LIU An-Jie , JIA Dian-Zeng , WU Dong-Ling , LIU Lang , GUO Ji-Xi . A Theoretical Study on the Photochromic Mechanism of 1-Phenyl-3-methyl-4-(6-hydro-4-amino-5-sulfo-2,3-pyrazine)-pyrazole-5-one. Chinese Journal of Structural Chemistry, 2014, 33(6): 821-829.
19. [19]
  ZHANG Mei-Li , WANG Ji-Jiang , CHEN Xiao-Li . Two Praseodymium Coordination Complexes with 1,3-Phenylenediacetate: Structural Diversity Tuned by Auxiliary Ligands. Chinese Journal of Structural Chemistry, 2014, 33(11): 1623-1628. doi: 10.14102/j.cnki.0254-5861.2011-0326