A Heterometallic MOF based on Monofunctional Linker by “One‐pot” Solvothermal Method for Highly Selective Gas Adsorption

Heterometallic MOFs, as an important branch of MOF materials, open up a new way to design and synthesize innovative MOF materials. Hence, it has positive significance for the development of MOF materials. By utilizing monofunctional linker CBDA [5,5'‐(carbonylbis(azanediyl))‐diisophthalic acid], a heterometallic MOF In/Gd‐CBDA was obtained under “one‐pot“ solvothermal method. The three‐dimensional framework exhibits (3,4,6)‐connected network belonging to a new topology. In addition, the synthetic conditions that affect the growth of crystal have been studied in detail. Numerous experiments led to the finding that the type and composition of solvents are very important for inducing the recognition of carboxylic acid groups at different positions coordination to diverse metals. Furthermore, the mechanism of this kind of heterometallic MOFs assembled by monofunctional linker under “one‐pot” solvothermal method has been clarified, which is mainly related to the steric hindrance of functional groups and the properties of heterometals. Based on ideal adsorbed solution theory (IAST), In/Gd‐CBDA shows the efficient selective gas adsorption, especially for equimolar mixtures of CO 2 /CH 4 (13) and C 3 H 8 /CH 4 (321). This work of heterometallic MOF material assembled by monofunctional linker under “one‐pot” solvothermal method provides a new platform for the development of MOF materials in terms of enriching the topological family and broadening possibilities in advanced applications.