Study on 2D Molecular Networks of Flexible Pentacarboxylic Acid Ligands Induced by Ether Bonds in Response to Selective Guest Inclusion

Abstract

The flexibility of ligands allows for their bending, twisting, or rotation to adopt various conformations, leading to distinct symmetries during the self-assembled process. Flexible aromatic acid ligands modified by ether bonds are a promising type of self-assembled module when it comes to surfaces. Here, two pentacarboxylic acid ligands (H 5 L1 and H 5 L2) with minor skeleton differences have successfully self-assembled into disparate porous networks on the graphite surface and demonstrated excellent potential for the inclusion of guest molecules. The H 5 L1 molecule's network structure only accommodates coronene (COR) molecules. With fewer COR molecules, H 5 L1 molecules act as a host template to accommodate the COR molecules. When there are too many COR molecules, COR molecules will induce H 5 L1 molecules to transform into a new host−guest nanostructure. Additionally, H 5 L2 molecules showed the ability to capture C 70 molecules and exhibited cavity selectivity. However, the assembled network of H 5 L2 was slightly deformed in attempts to trap the COR molecules. To understand these phenomena more deeply, various assembled mechanisms were analyzed in combination with building theoretical models and energy analysis. These results reveal the great potential of flexible aromatic acid ligands in twodimensional self-assembly and host−guest systems for their application in related fields.