Boronate esters that contain N‐donor groups are self‐complementary structures, which can assemble by means of dative boron–nitrogen bonds to form macrocycles or polymers. Herein, we describe the synthesis of dioxaborinanes and benzodioxaboroles containing pyridyl side chains. In the solid state, the dioxaborinanes were found to exist predominantly as monomers. Upon crystallization, aggregation into one‐dimensional polymers was observed, but only for boronate esters that contained electron‐withdrawing groups. The more Lewis acidic benzodioxaboroles, on the other hand, were found to form macrocycles both in solution and in the solid state.
The spatial packing modes of organic hole transporting materials exert a significant effect on the charge mobility. However it is difficult to reasonably design the materials with high-charge transfer performances due to the limits of the data regarding crystal structures. In this work, molecular dynamics simulation was used to find the new spatial packing ways of organic photoelectric materials containing oligothiophene based on randomly distributed initial structures. This work lays a theoretical foundation for designing favorable organic carrier transporting materials.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.