Conventional design of organic molecules incorporated into optoelectronics includes side-chains whose main purpose is to facilitate solubility for manufacturing. Our project investigates how these side chains can be multipurpose by utilizing the relatively weak non-covalent interactions to dictate crystal structure, which influence optical properties such as fluorescence. The design of our molecules includes phenylene ethynylene (PE) in the conjugated backbone with an electron rich arene, as well as electron poor perfluoroarenes as the side-chains. This model capitalizes on the low barrier of rotation of the PE, allowing for a twisted backbone that breaks up the conjugation and therefore preventing intramolecular quenching, when the electrostatics of each arene dictates the crystal structure by co-facial interactions. Our more recent studies include fused thiophenes, as they rise in interest in the field for they are electron rich, have low steric hinderance, and can also participate in diatomic non-covalent interactions. The relationship of how side-chains influence crystal structure by non-covalent interactions is an important step in understanding the tunability and controllability of optical properties for functional and solution processable organic optoelectronics.

Exploring the relationship of optical properties and crystal structures in organic conjugated materials

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