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- Title
Self-assembly of N-heterocyclic carbenes on Au(111).
- Authors
Inayeh, Alex; Groome, Ryan R. K.; Singh, Ishwar; Veinot, Alex J.; de Lima, Felipe Crasto; Miwa, Roberto H.; Crudden, Cathleen M.; McLean, Alastair B.
- Abstract
Although the self-assembly of organic ligands on gold has been dominated by sulfur-based ligands for decades, a new ligand class, N-heterocyclic carbenes (NHCs), has appeared as an interesting alternative. However, fundamental questions surrounding self-assembly of this new ligand remain unanswered. Herein, we describe the effect of NHC structure, surface coverage, and substrate temperature on mobility, thermal stability, NHC surface geometry, and self-assembly. Analysis of NHC adsorption and self-assembly by scanning tunneling microscopy and density functional theory have revealed the importance of NHC-surface interactions and attractive NHC-NHC interactions on NHC monolayer structures. A remarkable way these interactions manifest is the need for a threshold NHC surface coverage to produce upright, adatom-mediated adsorption motifs with low surface diffusion. NHC wingtip structure is also critical, with primary substituents leading to the formation of flat-lying NHC2Au complexes, which have high mobility when isolated, but self-assemble into stable ordered lattices at higher surface concentrations. These and other studies of NHC surface chemistry will be crucial for the success of these next-generation monolayers. Although N-heterocyclic carbenes (NHCs) are a promising class of ligands for forming robust self-assembled monolayers on metals, many questions remain about their behavior on surfaces. Here, the authors address these fundamental questions—such as the factors controlling NHC orientation, mobility, and ability to self-assemble—through an in-depth examination of NHC overlayers on Au(111).
- Subjects
SCANNING tunneling microscopy; CARBENES; DENSITY functional theory; SURFACE diffusion; GEOMETRIC surfaces
- Publication
Nature Communications, 2021, Vol 12, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-021-23940-0