Issue 20, 2024

Regulation of π–π interactions between single aromatic molecules by bias voltage

Abstract

π-stacking interaction, as a fundamental type of intermolecular interaction, plays a crucial role in generating new functional molecules, altering the optoelectronic properties of materials, and maintaining protein structural stability. However, regulating intermolecular π–π interactions at the single-molecule level without altering the molecular conformation as well as the chemical properties remains a significant challenge. To this end, via conductance measurement with thousands of single molecular junctions employing a series of aromatic molecules, we demonstrate that the π–π coupling between neighboring aromatic molecules with rigid structures in a circuit can be greatly enhanced by increasing the bias voltage. We further reveal that this universal regulating effect of bias voltage without molecular conformational variation originates from the increases of the molecular dipole upon an applied electric field. These findings not only supply a non-destructive method to regulate the intermolecular interactions offering an approach to modulate the electron transport through a single molecular junction, but also deepen the understanding of the mechanism of π–π interactions.

Graphical abstract: Regulation of π–π interactions between single aromatic molecules by bias voltage

Supplementary files

Article information

Article type
Paper
Submitted
27 3月 2024
Accepted
29 4月 2024
First published
29 4月 2024

Phys. Chem. Chem. Phys., 2024,26, 14607-14612

Regulation of π–π interactions between single aromatic molecules by bias voltage

X. Xu, K. Jia, Q. Qi, G. Tian and D. Xiang, Phys. Chem. Chem. Phys., 2024, 26, 14607 DOI: 10.1039/D4CP01277A

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