Crystal structure, magnetism, and luminescent properties of two isostructural pcu MOFs based on a triangular ligand

Publication date: 5 May 2018
Source:Journal of Molecular Structure, Volume 1159
Author(s): Pen-Ji Yan, Xiao-Qiang Yao, Hua Xie, Guo-Bin Xiao, Jia-Cheng Liu, Xin-Jian Xu
Two isomorphous metal-organic frameworks, {[M(TIPA) (btec)½]H2O}n, [M = Co (1) or Zn (2)] were synthesized hydrothermally based on a semi-rigid N-center triangular ligand TIPA, where TIPA = tris(4-(1H-imidazol-1-yl)-phenyl)amine, H4btec = 1,2,4,5-benzenetetracarboxylic acid. Single crystal structural analyses show that complexes 1 and 2 are isostructural and both feature a twofold interpenetrated pcu topology. In 1 and 2, the btec⁴⁻ ligand adopting μ2-η²:η¹ and μ1-η¹:η⁰ coordination modes connect adjacent dinuclear Co/Zn units to form a 1D straight polymeric chain. Then these chains arranged in parallel/parallel fashion were further extended to a 3D network by exo-tridentate ligand TIPA with μ2-κ²N:N′ coordination mode. The magnetic property of 1 and the luminescent property of 2 were investigated. Furthermore, the structure and spectroscopic property of 2 were further investigated by DFT and TD-DFT calculations.

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