English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/210482
logo share SHARE   Add this article to your Mendeley library MendeleyBASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Neutral organic radical formation by chemisorption on metal surfaces

AuthorsAjayakumar, Murugan; Moreno, César ; Alcón, Isaac; Illas, Francesc; Rovira, Concepció ; Veciana, Jaume ; Bromley, Stefan T.; Mugarza, Aitor ; Mas Torrent, Marta
Issue Date4-May-2020
PublisherAmerican Chemical Society
CitationJournal of Physical Chemistry Letters 11: 3897-3904 (2020)
AbstractOrganic 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 (1•) via chemisorption on the Ag(111) surface. X-ray photoelectron spectroscopy reveals that the >C═O group of 1 reacts with the surface, forming a C–O–Ag linkage that induces an electronic rearrangement that transforms 1 to 1•. We further show that surface reactivity is an important factor in this process whereby Au(111) is inert towards 1, whereas the Cu(111) surface leads to dehalogenation reactions. The radical nature of the Ag(111)-bound monolayer was further confirmed by angle-resolved photoelectron spectroscopy and electronic structure calculations, which provide evidence of the emergence of the singly occupied molecular orbital (SOMO) of 1•.
Publisher version (URL)http://dx.doi.org/10.1021/acs.jpclett.0c00269
Appears in Collections:(CIN2) Artículos
(ICMAB) Artículos
Files in This Item:
File Description SizeFormat 
Ajayakumar_JPhysChemLett_2020_postprint.pdf Embargoed until May 4, 20211,03 MBAdobe PDFThumbnail
View/Open    Request a copy
Show full item record
Review this work

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.