Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials

Ines M Hönicke; Irena Senkovska; Volodymyr Bon; Igor A Baburin; Nadine Bönisch; Silvia Raschke; Jack D Evans; Stefan Kaskel

doi:10.1002/anie.201808240

Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials

Angew Chem Int Ed Engl. 2018 Oct 15;57(42):13780-13783. doi: 10.1002/anie.201808240. Epub 2018 Sep 24.

Authors

Ines M Hönicke¹, Irena Senkovska¹, Volodymyr Bon¹, Igor A Baburin², Nadine Bönisch¹, Silvia Raschke¹, Jack D Evans¹, Stefan Kaskel¹

Affiliations

¹ Chair of Inorganic Chemistry I, Technische Universität Dresden, Bergstrasse 66, 01062, Dresden, Germany.
² Chair of Theoretical Chemistry, Technische Universität Dresden, Bergstrasse 66c, 01062, Dresden, Germany.

PMID: 30160076
DOI: 10.1002/anie.201808240

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.

Keywords: mechanical properties; mesoporous materials; metal-organic frameworks; porosity limit; porous coordination polymers.