dc.contributor.author |
Ajayakumar, M. R. |
dc.contributor.author |
Moreno, Cesar |
dc.contributor.author |
Alcón, Isaac |
dc.contributor.author |
Illas, Francesc |
dc.contributor.author |
Rovira Angulo, Concepció |
dc.contributor.author |
Veciana i Miró, Jaume |
dc.contributor.author |
Bromley, Stefan |
dc.contributor.author |
Mugarza, Aitor |
dc.contributor.author |
Mas-Torrent, Marta |
dc.date |
2020 |
dc.identifier |
https://ddd.uab.cat/record/232125 |
dc.identifier |
urn:10.1021/acs.jpclett.0c00269 |
dc.identifier |
urn:oai:ddd.uab.cat:232125 |
dc.identifier |
urn:scopus_id:85085263497 |
dc.identifier |
urn:articleid:19487185v11n10p3897 |
dc.identifier |
urn:icn2uab:6272176 |
dc.format |
application/pdf |
dc.language |
eng |
dc.publisher |
|
dc.relation |
European Commission 600385 |
dc.relation |
European Commission 306826 |
dc.relation |
Ministerio de Economía y Competitividad RTI2018-095460-B-I00 |
dc.relation |
Ministerio de Economía y Competitividad MDM-2017-0767 |
dc.relation |
Ministerio de Economía y Competitividad SEV-2017-0706 |
dc.relation |
Ministerio de Economía y Competitividad CTQ2016-80030-R |
dc.relation |
Ministerio de Economía y Competitividad MAT2016-78293-C6-2-R |
dc.relation |
Ministerio de Economía y Competitividad SEV-2015-0496 |
dc.relation |
Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-13 |
dc.relation |
Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-918 |
dc.relation |
Journal of physical chemistry letters ; Vol. 11, issue 10 (May 2020), p. 3897-3904 |
dc.rights |
open access |
dc.rights |
Tots els drets reservats. |
dc.rights |
https://rightsstatements.org/vocab/InC/1.0/ |
dc.subject |
Angle resolved photoelectron spectroscopy |
dc.subject |
Bearing surfaces |
dc.subject |
Electronic structure calculations |
dc.subject |
Experimental realizations |
dc.subject |
Organic radicals |
dc.subject |
Potential materials |
dc.subject |
Singly occupied molecular orbitals |
dc.subject |
Surface reactivity |
dc.title |
Neutral organic radical formation by chemisorption on metal surfaces |
dc.type |
Article |
dc.description.abstract |
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 >C=O group of 1 reacts with the surface, forming a C-O-Ag linkage that induces an electronic rearrangement that transforms 1 to . 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. |