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Supramolecular tessellation with self-synthesized (C) tiles is achieved based on a cooperative interaction between co-adsorbed C and octanethiol (OT) molecules. Tile synthesis and tiling take place simultaneously on a gold substrate leading to a two-dimensional lattice of (C) tiles with OT as the binder molecule filling the gaps between the tiles. This supramolecular tessellation is featured with simultaneous on-site synthesis of tiles and self-organized tiling. In the absence of specific functional groups, the key to ordered tiling for the C/OT system is the collective van der Waals (vdW) interaction among a large number of molecules. This bicomponent system herein offers a way for the artificial synthesis of 2D complex vdW supramolecular tessellations.
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http://dx.doi.org/10.1039/d1nr05589e | DOI Listing |
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August 2025
Institute of Chemistry, Martin Luther University Halle-Wittenberg, Kurt-Mothes-Straße 2, 06120, Halle, Germany.
Periodic tessellations of the 2D plane by nonsymmetric polygons are of particular interest for both the 2D Kelvin problem, which is critical to system linearity and elasticity, and reticular chemistry to diverse the topological varieties. Here, a new liquid crystalline honeycomb phase, representing a monohedral tiling by nonsymmetric hexagonal cells resulting from the soft self-assembly of nine consecutive end-to-end hydrogen-bonded p-terphenyl rods is reported. The new phase structure is characterized by POM, DSC as well as SAXS, with which the electron density map is reconstructed and discussed.
View Article and Find Full Text PDFJ Chem Theory Comput
August 2025
Computational Materials Chemistry Group, Faculty of Chemistry and Biochemistry, Ruhr-Universität Bochum, 44801 Bochum, Germany.
Host-guest complexation has captivated the curiosity of researchers across disciplines, sparking both experimental and computational studies. Yet, the most common guest, the solvent, is often neglected. In this work we propose a collective variable (CV) to control the occupation of any given supramolecular structure in molecular dynamics simulations.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
June 2025
Department of Chemistry, The University of Hong Kong - Chinese Academy of Sciences Joint Laboratory on New Materials and Shanghai-Hong Kong Joint Laboratory on Chemical Synthesis, The University of Hong Kong, Hong Kong 999077, China.
Tessellation, as an ancient and fascinating mathematical pursuit, has not only captivated mathematicians but also has attracted chemists' increasing attention at the molecular level in recent years. Exploring tessellation at the molecular scale is pivotal for gaining profound insights into the effects of tessellation on materials and elucidating the essential design principles for supramolecular tessellation. In this study, we develop a dynamic fullerene host () with three consecutive heptagons, which promotes diverse supramolecular tessellation via hierarchical assembly.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemistry and Paula M. Trienens Institute for Sustainability and Energy Northwestern University, Evanston, Illinois 60208-3113, United States.
Understanding charge transfer (CT) dynamics in donor-acceptor (D-A) cocrystals is important for the development of efficient organic photovoltaic and electronic materials. This study explores the photogenerated CT states of supramolecular tessellations formed by cocrystallizing a chiral tris(naphthalenediimide) triangular prism (-)-NDI-Δ with pyrene, perylene, and -xanthenoxanthene electron donors. By manipulating crystallization conditions, one-dimensional (1D) and two-dimensional (2D) cocrystals with distinct structural motifs and morphologies are achieved.
View Article and Find Full Text PDFChemistry
May 2024
Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Centre, Frontiers Science Center for Materiobiology and Dynamic Chemistry, East China University of Science & Technology, S
Macrocyclic arenes have gained considerable attention for their structural diversity and widespread applications. In this research, a new kind of macrocyclic arenes, namely prism[2]dihydrophenazines (anti-P2P20, syn-P2P20, and P2P22), composed of two dihydrophenazine derivatives subunits bridged by methylene groups, were conveniently synthesized by AlCl-catalyzed one-pot condensation in 1,2-dichloroethane. Both anti-P2P20 and its isomer syn-P2P20 exhibited flexible and convertible conformation with narrow cavity, while P2P22 possessed rigid and rhombic-like skeleton due to the more steric hindrance on subunits.
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