Tuning thermomechanical properties of hydrogen-bonded materials by using a mixed cocrystal approach

Abstract

The ability to tune the thermomechanical properties of organic solids by utilizing a mixed cocrystal approach is described. The components of each solid are self-assembled through hydrogen bonds, and changing the composition of the solid at the molecular level provides control over the solid-state property. Specifically, two binary solids are prepared using the same hydrogen-bond donor molecule and an unsymmetrical, isosteric hydrogen-bond acceptor. The mixed cocrystal is realized by incorporating both acceptors into the solid material. The thermomechanical response of the mixed cocrystal lies numerically in between the two binary systems along all three principal directions of the solid. Mixed cocrystals are underexplored when compared to their binary counterparts, and this work demonstrates the tunability in solid-state material properties that can be achieved using the mixed approach.