Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials

Angewandte Chemie
Ines M HönickeStefan Kaskel

Abstract

A new mesoporous metal-organic framework (MOF; DUT-60) was conceptually designed in silico using Zn4 O6+ nodes, ditopic and tritopic linkers to explore the stability limits of framework architectures with ultrahigh porosity. The robust ith-d topology of DUT-60 provides an average bulk and shear modulus (4.97 GPa and 0.50 GPa, respectively) for this ultra-porous framework, a key prerequisite to suppress pore collapse during desolvation. Subsequently, a cluster precursor approach, resulting in minimal side product formation in the solvothermal synthesis, was used to produce DUT-60, a new crystalline framework with the highest recorded accessible pore volume (5.02 cm3  g-1 ) surpassing all known crystalline framework materials.

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Citations

Jul 16, 2019·Chemical Communications : Chem Comm·Marcus RaucheEike Brunner
Aug 2, 2019·Chemical Communications : Chem Comm·Timothée StassinRob Ameloot
May 21, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Casey A RowlandEric D Bloch
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