Mechanisms of N-Heterocyclic Carbene Complex Lattice Formation

N-Heterocyclic carbenes (NHCs) that have wingtip groups with low steric bulk, such as 1,3-dimethyl-benzimidazol-2-ylidene (NHC<sup>Me</sup>), form bis-complexes with metal atoms when they are deposited onto Au(111) surfaces <i>in vacuo</i>. These complexes self-assemble into three different lattices: a herringbone, a double-herringbone, and a chiral kagome lattice. The static properties of these lattices have been studied with scanning tunneling microscopy and <i>ab initio</i> theoretical methods. Dynamic processes including complex center displacement and hindered monomer motion have also been observed. Our results suggest that in addition to surface hopping, exchange processes are important, providing a facile mechanism for atom exchange between the overlayer and the metal. These dynamic processes are well-known from studies of metal epitaxy but have not previously been discussed in the context of NHC self-assembly.

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Journal
ACS Nano
Published
2025-08-25
DOI
https://doi.org/10.1021/acsnano.5c06139
Primary Topic
N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Type
article
Field-Weighted Citation Impact
0.00

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article

Mechanisms of N-Heterocyclic Carbene Complex Lattice Formation

F. Crasto de Lima, Francesco Tumino, Alex J. Veinot, Michael Furlan et al.
ACS Nano
N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
article

Mechanisms of N-Heterocyclic Carbene Complex Lattice Formation

F. Crasto de Lima, Francesco Tumino, Alex J. Veinot, Michael Furlan, Mark D. Aloisio, Cathleen M. Crudden, R. H. Miwa, A. B. McLean, Alex Inayeh, Ryan Groome, Ishwar Singh, Emmett Desroche
article en

Abstract

N-Heterocyclic carbenes (NHCs) that have wingtip groups with low steric bulk, such as 1,3-dimethyl-benzimidazol-2-ylidene (NHC<sup>Me</sup>), form bis-complexes with metal atoms when they are deposited onto Au(111) surfaces <i>in vacuo</i>. These complexes self-assemble into three different lattices: a herringbone, a double-herringbone, and a chiral kagome lattice. The static properties of these lattices have been studied with scanning tunneling microscopy and <i>ab initio</i> theoretical methods. Dynamic processes including complex center displacement and hindered monomer motion have also been observed. Our results suggest that in addition to surface hopping, exchange processes are important, providing a facile mechanism for atom exchange between the overlayer and the metal. These dynamic processes are well-known from studies of metal epitaxy but have not previously been discussed in the context of NHC self-assembly.

ACS NanoVol. 19(35)
Queen's University (CA), Instituto de Física La Plata (AR), Astronomy and Space (AU), Brazilian Center for Research in Energy and Materials (BR), Nano Carbon (Poland) (PL), Universidade Federal de Uberlândia (BR)
Canada Foundation for Innovation, Canada Research Chairs, Queen's University, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação de Amparo à Pesquisa do Estado de Minas Gerais, Centro Nacional de Processamento de Alto Desempenho em São Paulo, Natural Sciences and Engineering Research Council of Canada, Social Sciences and Humanities Research Council of Canada
Openalex Percentile: Top 83%
N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
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