Direct Observation of the Relationship betweenMolecular Topology and Bulk Morphology for a π-Conjugated Material.

J Am Chem Soc

Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry , University of California, Santa Barbara , Santa Barbara , California 93106 , United States.

Published: April 2019

High-performance organic semiconducting materials are reliant upon subtle changes in structure across different length scales. These morphological features control relevant physical properties and ultimately device performance. By combining in situ NMR spectroscopy and theoretical calculations, the conjugated small molecule TT is shown to exhibit distinct temperature-dependent local structural features that are related to macroscopic properties. Specifically, lamellar and melt states are shown to exhibit different molecular topologies associated with planar and twisted conformations of TT, respectively. This topological transformation offers a novel avenue for molecular design and control of solid-state organization.

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http://dx.doi.org/10.1021/jacs.8b13200DOI Listing

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