Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation.

ABSTRACT: Molecular stacking modes, generally classified as H-, J-, and X-aggregation, play a key role in determining the optoelectronic properties of organic crystals. However, the control of stacking transformation of a specific molecule is an unmet challenge, and a priori prediction of the performance in different stacking modes is extraordinarily difficult to achieve. In particular, the existence of hybrid stacking modes and their combined effect on physicochemical properties of molecular crystals are not fully understood. Herein, unexpected stacking transformation from H- to J- and X-aggregation is observed in the crystal structure of a small heterocyclic molecule, 4,4'-bipyridine (4,4'-Bpy), upon coassembly with N-acetyl-l-alanine (AcA), a nonaromatic amino acid derivative. This

SUBMITTER: Ji W 

PROVIDER: S-EPMC7450703 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature