Unconventional Pyridyl Ligand Inclusion within a Flexible Metal-Organic Framework Bearing an N,N′-Diethylformamide (DEF)-Solvated Cd5 Cluster Secondary Building Unit

Meng Yao Chao, Jing Chen, Xiao Yu Wu, Rui Yao Wang, Pei Pei Wang, Lifeng Ding, David J. Young, Wen Hua Zhang

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    A cationic three-dimensional (3D) metal-organic framework (MOF) sustained by an N,N′-diethylformamide (DEF)-solvated zigzag-shaped Cd5 cluster secondary building unit (SBU), [Et2NH2]2[Cd5(BTB)4(DEF)2] ⋅ 4.75DEF (1 a, H3BTB=benzene-1,3,5-tribenzoic acid) shows flexible framework behavior and undergoes solvate exchange with CHCl3 to yield [Et2NH2]2[Cd5(BTB)4(DEF)2] ⋅ xCHCl3 (1 b) accompanied by changes to pore sizes and shapes. Unexpectedly, the DEF solvates coordinated to the central Cd2+ could not be replaced by strongly donor pyridyl and dipyridyl ligands. Additionally, more electron-deficient pyridyls preferentially coordinated to the flanking Cd2+ of the Cd5 SBU, as exemplified by [Et2NH2]2[Cd5(BTB)4(DEF)2(PyCHO)2] ⋅ xSol (2 a, PyCHO=4-pyridinealdehyde) and [Et2NH2]2[Cd5(BTB)4(DEF)2(PyAc)2] ⋅ xSol (2 b, PyAc=4-acetylpyridine). Density functional theory (DFT) calculations were used to understand these counterintuitive observations.

    Original languageEnglish
    Pages (from-to)503-509
    Number of pages7
    Issue number3
    Publication statusPublished - Mar 2020

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