Fig. 3: Molecular assemblies and charge-transport capabilities of Ph–BQQDI and Cy6–BQQDI. | Communications Chemistry

Fig. 3: Molecular assemblies and charge-transport capabilities of Ph–BQQDI and Cy6–BQQDI.

From: Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents

Fig. 3

a Intermolecular distances and force constants between dimers along the transverse direction, molecular misalignment distances, and illustration of LUMO overlaps along the ππ stacking direction. b Illustration of the 2D brickwork molecular assembly, including ππ stacking distances (between planes of atoms on the BQQ core, excluding hydrogens) and the calculated transfer integrals.

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