Guest-Induced Diverse Self-Assembles of an Oligopyrrole

Abstract

The diverse self-assemblies of an oligopyrrole (1) in the solid state have been investigated. Crystallographic analyses revealed the presence of H-bond accepting guests can regulate the crystalization process and lead to a variety of supramolecular structures. Halide anions can induce the formation of recticular frameworks; the presence of ethyl acetate leads to the formation of a discrete supramolecular capsule; diethyl ether induces the formation of a zig-zag supramolecular polymer; methanol, interestingly, induces the formation of an anion-bridged supramolecular polymer. When there lacks guest molecules, oligopyrrole 1 assembles into an interlaocked supramolecular polymer. DFT studies suggest that guest polarity has significant impacts on the electrostatic potential pattern of the host-guest complex and the distribution of surface charge may dictate the process of crystal packing.