Citation: Jiao-Jiao YU, Xiu-Mei LI, Bo LIU, Shi ZHOU. A New Mn(Ⅱ) Complex Assembled by 2,5-Dihydroxy-1,4-benzenedicarboxylic Acid and 2,2΄-Bipyridine: Synthesis, Structure and Theoretical Calculation[J]. Chinese Journal of Structural Chemistry, ;2020, 39(4): 765-771. doi: 10.14102/j.cnki.0254-5861.2011-2489 shu

A New Mn(Ⅱ) Complex Assembled by 2,5-Dihydroxy-1,4-benzenedicarboxylic Acid and 2,2΄-Bipyridine: Synthesis, Structure and Theoretical Calculation

Jiao-Jiao YU ^a ,
Xiu-Mei LI ^b,, ,
Bo LIU ^c,, ,
Shi ZHOU ^c

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

Corresponding author: Xiu-Mei LI, lixm20032006@163.com Bo LIU, 112363305@qq.com
Received Date: 3 June 2019
Accepted Date: 13 July 2019

Fund Project: the Science and Technology development plan of Jilin Province 2015052006JH

Figures(5)

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.
- hydrothermal synthesis,
- crystal structure,
- Mn(Ⅱ) complex,
- 2,5-dihydroxy-1,4-benzene-dicarboxylic acid,
- natural bond orbital
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