Selective sorting of hexane isomers by anion-functionalized metal-organic frameworks with optimal energy regulation

Extensive efforts have been made to improve the separation selectivity of hydrocarbon isomers with nearly distinguishable boiling points; however, how to balance the high regeneration energy consumption remains a daunting challenge. Here we describe the efficient separation of hexane isomers by constructing and exploiting the rotational freedom of organic linkers and inorganic SnF₆^2- anions within adaptive frameworks, and reveal the nature of flexible host-guest interactions to maximize the gas-framework interactions while achieving potential energy storage. This approach enables the discrimination of hexane isomers according to the degree of branching along with high capacity and record mono-/di-branched selectivity (6.97), di-branched isomers selectivity (22.16), and upgrades the gasoline to a maximum RON (Research Octane Number) of 105. Benefitting from the energy regulation of the flexible pore space, the material can be easily regenerated only through a simple vacuum treatment for 15 minutes at 25 °C with no temperature fluctuation, saving almost 45% energy compared to the commercialized zeolite 5 A. This approach could potentially revolutionize the whole scenario of alkane isomer separation processes.