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<p>Rapid synthesis of metal–organic frameworks (MOFs) under ambient conditions is gaining attention as an energy-efficient alternative to traditional solvothermal methods. However, most current approaches rely on excessive organic ligands or base additives, which significantly hinder the efficiency and scalability of MOF production. In this work, we present an energy efficient, acetate-salt directed synthesis of ([Zn<sub>2</sub>(BDC)<sub>2</sub>DABCO]<sub>n</sub> (ZnBD, BDC = terephthalic acid, DABCO = 1,4-diazabicyclo[2.2.2]octane) under ambient conditions. The effects of different zinc salts, including zinc acetate, nitrate, chloride, and bromide, on the formation of ZnBDs are investigated through experimental and theoretical studies. Our findings reveal that zinc acetate is essential for ambient synthesis of high-quality ZnBD, enabling rapid production with yields exceeding 76% in less than 30&#xa0;min. The superior performance of zinc acetate is attributed to the structural similarity between acetate-bridged dimers and the secondary building units (SBUs) of ZnBD. Computational studies using density functional theory (DFT) and ab initio molecular dynamics (AIMD) calculations further demonstrate that this structural resemblance enhances ligand exchange efficiency, facilitates SBU formation, and reduces the nucleation energy barrier under mild conditions. These findings demonstrate that selecting metal salts with structures analogous to SBUs can unlock new opportunities for the efficient, room-temperature synthesis of MOFs. </p>

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Energy efficient and rapid room temperature synthesis of pillar-layered metal–organic frameworks

  • 期刊论文

  • 发表日期：

    2025年6月7日

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  • Giwook Lee,
  • Ga Eun Jo,
  • Hyeongjun Kim,
  • Seok Ki Kim,
  • Jongkook Hwang

摘要

Rapid synthesis of metal–organic frameworks (MOFs) under ambient conditions is gaining attention as an energy-efficient alternative to traditional solvothermal methods. However, most current approaches rely on excessive organic ligands or base additives, which significantly hinder the efficiency and scalability of MOF production. In this work, we present an energy efficient, acetate-salt directed synthesis of ([Zn2(BDC)2DABCO]n (ZnBD, BDC = terephthalic acid, DABCO = 1,4-diazabicyclo[2.2.2]octane) under ambient conditions. The effects of different zinc salts, including zinc acetate, nitrate, chloride, and bromide, on the formation of ZnBDs are investigated through experimental and theoretical studies. Our findings reveal that zinc acetate is essential for ambient synthesis of high-quality ZnBD, enabling rapid production with yields exceeding 76% in less than 30 min. The superior performance of zinc acetate is attributed to the structural similarity between acetate-bridged dimers and the secondary building units (SBUs) of ZnBD. Computational studies using density functional theory (DFT) and ab initio molecular dynamics (AIMD) calculations further demonstrate that this structural resemblance enhances ligand exchange efficiency, facilitates SBU formation, and reduces the nucleation energy barrier under mild conditions. These findings demonstrate that selecting metal salts with structures analogous to SBUs can unlock new opportunities for the efficient, room-temperature synthesis of MOFs.