Growth of N‐Heterocyclic Carbene Assemblies on Cu(100) and Cu(111): From Single Molecules to Magic‐Number Islands. Issue 30 (10th June 2022)

• Record Type: Journal Article
• Authors: Navarro, Juan J.; Das, Mowpriya; Tosoni, Sergio; Landwehr, Felix; Koy, Maximilian; Heyde, Markus; Pacchioni, Gianfranco; Glorius, Frank; Roldan Cuenya, Beatriz
• Is Part Of: Angewandte Chemie international edition. Volume 61:Issue 30(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-06-10
• Subjects: Density Functional Calculations -- Magic-Number Islands -- Molecular Self-Assembly -- N-Heterocyclic Carbenes -- Scanning Tunneling Microscopy; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202202127
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: N‐Heterocyclic carbenes (NHCs) have superior properties as building blocks of self‐assembled monolayers (SAMs). Understanding the influence of the substrate in the molecular arrangement is a fundamental step before employing these ligands in technological applications. Herein, we study the molecular arrangement of a model NHC on Cu(100) and Cu(111). While mostly disordered phases appear on Cu(100), on Cu(111) well‐defined structures are formed, evolving from magic‐number islands to molecular ribbons with coverage. This work presents the first example of magic‐number islands formed by NHC assemblies on flat surfaces. Diffusion and commensurability are key factors explaining the observed arrangements. These results shed light on the molecule‐substrate interaction and open the possibility of tuning nanopatterned structures based on NHC assemblies. Abstract : A model N‐heterocyclic carbene adsorbs on Cu(100) and Cu(111) leading to different nanostructures. On Cu(111), the combination of intermolecular interactions and commensurability promotes the formation of magic‐number islands. The understanding of this self‐assembly process represents important progress for the design of tailormade N‐heterocyclic carbene (NHC) assemblies.