Lunn, RDJ; Tocher, DA; Sidebottom, PJ; Montgomery, MG; Keates, AC; Carmalt, CJ; (2020) Encapsulation of Aromatic Compounds and a Non-Aromatic Herbicide into a Gadolinium-Based Metal–Organic Framework via the Crystalline Sponge Method. Crystal Growth & Design , 20 (11) pp. 7238-7245. 10.1021/acs.cgd.0c00901.

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Abstract

The crystalline sponge method (CSM) is a procedure that has the potential to remove the need to have good-quality single crystals of the target compound by soaking said compound into a crystalline metal–organic framework (MOF). To increase the range of compounds that can be employed with the CSM, a range of different MOFs must be investigated. In this study we have explored the use of a lanthanide-based MOF, RUM-2, recently shown to have potential as a CSM host. Specifically, we have successfully formed five novel inclusion complexes with the four aromatic guests: 2-phenylethanol, benzyl acetate, benzyl benzoate, and vanillin and the non-aromatic herbicide molinate. A detailed analysis of the effect of size on the positions guest molecules sit within the pores of the MOF was performed. The π···π, CH···π, hydrogen-bonding, and coordination host–guest and guest–guest interactions utilized in guest ordering were also investigated, and the disorder experienced by guest molecules was documented.

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