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| A New Mn(II) Complex Assembled by 2,5-Dihydroxy-1,4-benzenedicarboxylic Acid and 2,2΄-Bipyridine: Synthesis,Structure and Theoretical Calculation#br# |
| YU Jiao-Jiao;LI Xiu-Mei;LIU Bo;ZHOU Shi |
a (College of Petrochemical Engineering, Lanzhou Petrochemical Polytechnic, Lanzhou 730060, China)
b (Faculty of Chemistry, Tonghua Normal University, Tonghua 134002, China)
c (Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education, Changchun 130103, China)
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Abstract A new complex [Mn(DHTA)(bipy)0.5]n (1, H2DHTA = 2,5-dihydroxy-1,4-benzene- dicarboxylic acid, bipy = 2,2΄-bipyridine) was hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, single-crystal and power X-ray diffraction. It belongs to monoclinic system, C2/c space group with a = 12.874(13), b = 11.302(12), c = 17.352(18) Å, β = 101.574(15)°, V = 2474(4) Å3 and Z = 4. It displays a one-dimensional zigzag chain-like structure, which was further extended into a three-dimensional supramolecular structure by hydrogen bonds and π-π interactions. Moreover, we analyzed Natural Bond Orbital (NBO) of 1 in using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Mn(II) ion.
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Received: 03 June 2019
Published: 13 April 2020
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| Fund:The project was supported by the Science and Technology development planof Jilin Province (2015052006JH) |
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Corresponding Authors:
lixm20032006@163.com
E-mail: lixm20032006@163.com
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2020, Vol. 39 
