Citation: Ri PENG, Yingxiang BAI, Yuxin XIE, Dunru ZHU. cis/trans-Octahedral configuration induced topologically different MOFs: Syntheses, structures, and Hirshfeld surface analyses[J]. Chinese Journal of Inorganic Chemistry, ;2025, 41(8): 1650-1660. doi: 10.11862/CJIC.20250143 shu

cis/trans-Octahedral configuration induced topologically different MOFs: Syntheses, structures, and Hirshfeld surface analyses

Ri PENG ¹ ,
Yingxiang BAI ¹ ,
Yuxin XIE ¹ ,
Dunru ZHU ^{1, 2,,}

1.
College of Chemical Engineering, State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China
2.
State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210023, China

Corresponding author: Dunru ZHU, zhudr@njtech.edu.cn
Received Date: 25 April 2025
Revised Date: 19 May 2025

Figures(6)

Two metal-organic frameworks (MOFs), trans-[Co(L)(μ₂-H₂O)(H₂O)₂]·2H₂O (1) and cis-[Mn(L)(Bipy)] (2) (H₂L=2, 2′-dimethyl-4, 4′-biphenyldicarboxylic acid, Bipy=4, 4′-bipyridine), have been synthesized and characterized by FTIR, thermogravimetric analysis (TGA), powder and single crystal X-ray diffraction. MOF 1 crystallizes in the triclinic system with a P1 space group and contains two crystallographically different Co(Ⅱ) ions. Each trans-[CoO₆] octahedron is connected by μ₂-H₂O and L²^- ligand with a bis(unidentate) coordination mode to produce a 2D sql topological network. MOF 2 crystallizes in the monoclinic system with a C2/c space group. The Mn(Ⅱ) cation adopts a cis-[MnO₄N₂] octahedron as a 6-connected node and is linked by L^2- ligand as a 4-connected node to generate a binodal (4, 6)-connected 3D fsc framework. The intermolecular interactions in 1 and 2 have been investigated by 3D Hirshfeld surface analyses and 2D fingerprint plots to reveal that the main interactions are H…H and O…H/H…O contacts in 1, and H…H and C…H/H…C contacts in 2. The TGA indicated that 1 and 2 were stable below 390 and 370 ℃, respectively.
- metal-organic framework,
- 2, 2′-dimethyl-4, 4′-biphenyldicarboxylic acid,
- cis/trans-octahedron,
- topology,
- Hirshfeld surface analysis
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