npj Computational Materials (May 2022)

Installing a molecular truss beam stabilizes MOF structures

  • Hong Ki Kim,
  • Jong-Yeong Jung,
  • Gyumin Kang,
  • Mu-Hyun Baik,
  • Eun-Young Choi

DOI
https://doi.org/10.1038/s41524-022-00799-3
Journal volume & issue
Vol. 8, no. 1
pp. 1 – 9

Abstract

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Abstract Enhancing the stability and durability of metal-organic frameworks (MOFs) is vital for practical applications because many promising MOF materials suffer from phase transitions and/or structural decompositions with humidity being a particularly damaging condition. In mechanical engineering, the frame of buildings and furniture can be stabilized significantly by installing a truss beam. Employing the same principle, we functionalized the organic component of MOF-5 to contain a carbazole moiety that can act as a molecular truss beam by reaching across the corner and forming a stable π–π interaction with a phenyl group on the edge position of the MOF-skeleton. This structural support enhanced the stability of the MOF substantially, allowing the designed MOF to maintain compositional integrity under steam conditions at 90 °C for ~5 days. The unmodified MOF-5 shows clear signs of structural collapse after ~1 h.