Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces

0539766 - FZÚ 2021 RIV US eng J - Journal Article
Doud, E.A. - Starr, R.L. - Kladnik, G. - Voevodin, A. - Montes Muñoz, Enrique - Arasu, Narendra P. - Zang, Y. - Zahl, P. - Morgante, A. - Venkataraman, L. - Vázquez, Héctor - Cvetko, D. - Roy, X.
Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces.
Journal of the American Chemical Society. Roč. 142, č. 47 (2020), s. 19902-19906. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA19-23702S
Institutional support: RVO:68378271
Keywords : carbenes * DFT * adsorption * anchoring groups * STM * AFM * NEXAFS
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 15.419, year: 2020
Method of publishing: Limited access
https://doi.org/10.1021/jacs.0c10743

The creation of stable molecular monolayers on metallic surfaces is a fundamental challenge of surface chemistry... Here we theoretically and experimentally demonstrate that the smallest cyclic carbene, cyclopropenylidene, binds even more strongly than NHCs to Au surfaces without altering the surface structure. We deposit bis(diisopropylamino)cyclopropenylidene (BAC) on Au(111) using the molecular adduct BAC–CO2 as a precursor and determine the structure, geometry, and behavior of the surface-bound molecules through high-resolution X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling microscopy. Our experiments are supported by density functional theory calculations of the molecular binding energy of BAC on Au(111) and its electronic structure. Our work is the first demonstration of surface modification with a stable carbene other than NHC more broadly, it drives further exploration of various carbenes on metal surfaces

Permanent Link: http://hdl.handle.net/11104/0317466