Controlled Construction of an Exquisite Three-Component Co-assembly Supramolecular Structure at the Liquid-Solid Interface

Langmuir. 2021 Feb 16;37(6):2153-2160. doi: 10.1021/acs.langmuir.0c03387. Epub 2021 Feb 2.

Abstract

A three-component supramolecular co-assembly structure formed at the liquid-solid interface by employing a shape-persistent π-conjugated macrocycle (16mer) and two guest molecules (COR and C60) is demonstrated. Scanning tunneling microscopy (STM) observations revealed that 16mer can serve as a versatile host molecule that can co-assemble with both COR and C60 guest molecules to form stable two-component structures, where the COR guest molecule filled in the gap between the side chains of adjacent 16mer molecules, and the C60 guest molecule entered the inner cavity of 16mer. It was found that the adding sequence of COR and C60 guest molecules is crucial to the resulting co-adsorption structure in the three-component system. To obtain the intriguing 16mer-COR-C60 three-component co-assembly structure, the 16mer and COR two-component co-assembly structure should first be constructed on a HOPG surface, followed by addition of C60. Based on the analysis of the STM results and the density functional theory (DFT) calculations, the formation mechanism of the assembled structures was revealed.