Neutral organic radical formation by chemisorption on metal surfaces

Organic radical monolayers (r-MLs) bonded to metal surfaces are potential materials for the development of molecular (spin)electronics. Typically, stable radicals bearing surface anchoring groups are used to generate r-MLs. Following a recent theoretical proposal based on a model system, we report t...

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Detalles Bibliográficos
Autores: Ajayakumar, M. R.|||0000-0002-7041-7456, Moreno, Cesar|||0000-0003-2682-211X, Alcón, Isaac|||0000-0002-7569-2000, Illas, Francesc|||0000-0003-2104-6123, Rovira Angulo, Concepció|||0000-0002-2365-9479, Veciana i Miró, Jaume|||0000-0003-1023-9923, Bromley, Stefan|||0000-0002-7037-0475, Mugarza, Aitor|||0000-0002-2698-885X, Mas-Torrent, Marta|||0000-0002-1586-005X
Tipo de recurso: artículo
Fecha de publicación:2020
País:España
Institución:Universitat Autònoma de Barcelona
Repositorio:Dipòsit Digital de Documents de la UAB
Idioma:inglés
OAI Identifier:oai:ddd.uab.cat:232125
Acceso en línea:https://ddd.uab.cat/record/232125
https://dx.doi.org/urn:doi:10.1021/acs.jpclett.0c00269
Access Level:acceso abierto
Palabra clave:Angle resolved photoelectron spectroscopy
Bearing surfaces
Electronic structure calculations
Experimental realizations
Organic radicals
Potential materials
Singly occupied molecular orbitals
Surface reactivity
Descripción
Sumario:Organic radical monolayers (r-MLs) bonded to metal surfaces are potential materials for the development of molecular (spin)electronics. Typically, stable radicals bearing surface anchoring groups are used to generate r-MLs. Following a recent theoretical proposal based on a model system, we report the first experimental realization of a metal surface-induced r-ML, where a rationally chosen closed-shell precursor 3,5-dichloro-4-[bis(2,4,6-trichlorophenyl)methylen]cyclohexa-2,5-dien-1-one (1) transforms into a stable neutral open-shell species () via chemisorption on the Ag(111) surface. X-ray photoelectron spectroscopy reveals that the.