Single-molecule conductance of neutral closed-shell and open- shell diradical indenofluorenes
dc.contributor.author | Casares, Raquel | |
dc.contributor.author | Rodríguez González, Sandra | |
dc.contributor.author | Martínez Pinel, Álvaro | |
dc.contributor.author | Márquez, Irene R. | |
dc.contributor.author | González, M. Teresa | |
dc.contributor.author | Díaz Blanco, Cristina | |
dc.contributor.author | Martín, Fernando | |
dc.contributor.author | Cuerva, Juan M. | |
dc.contributor.author | Leary, Edmund | |
dc.contributor.author | Millán, Alba | |
dc.date.accessioned | 2024-12-18T12:16:47Z | |
dc.date.available | 2024-12-18T12:16:47Z | |
dc.date.issued | 2024-10-18 | |
dc.description.abstract | Organic diradicals are highly promising candidates as future components in molecular electronic and spintronic devices because of their low spin−orbit coupling. To advance toward final circuit realizations, a thorough knowledge of the behavior of diradicals within a single-molecule junction framework is imperative. In this work, we have measured for the first time the single-molecule conductance of a neutral open-shell diradical compound, a [2,1-b] isomer of indenofluorene (IF). Our results reveal that the conductance of the [2,1-b] isomer is about 1 order of magnitude higher than that of the corresponding closed-shell regioisomer [1,2-b] IF. This is significant, as it fundamentally demonstrates the possibility of forming stable single-molecule junctions using neutral diradical compounds which are also highly conducting. This opens up a new approach to the development of externally addressable spintronic devices operable at room temperature | |
dc.description.department | Depto. de Química Física | |
dc.description.faculty | Fac. de Ciencias Químicas | |
dc.description.refereed | TRUE | |
dc.description.sponsorship | MICIU/AEI, Spain | |
dc.description.sponsorship | Ministerio de Universidades, Spain | |
dc.description.sponsorship | Consejería de Universidad, Investigación e Innovación, Andalucia | |
dc.description.sponsorship | Comunidad de Madrid Atracción de Talento | |
dc.description.sponsorship | EU NextGenerationEU/PRTR | |
dc.description.sponsorship | the’Severo Ochoa’ Programme for Center of Excellence in R&D | |
dc.description.status | pub | |
dc.identifier.citation | Raquel Casares, Sandra Rodríguez-González, Álvaro Martínez-Pinel, Irene R. Márquez, M. Teresa González, Cristina Díaz, Fernando Martín, Juan M. Cuerva, Edmund Leary, and Alba Millán, J. Am. Chem. Soc., 146, 29977−29986 (2024) | |
dc.identifier.doi | https://doi.org/10.1021/jacs.4c13551 | |
dc.identifier.officialurl | https://pubs.acs.org/doi/10.1021/jacs.4c13551?ref=PDF | |
dc.identifier.relatedurl | https://pubs.acs.org/doi/10.1021/jacs.4c13551 | |
dc.identifier.uri | https://hdl.handle.net/20.500.14352/112926 | |
dc.issue.number | 43 | |
dc.journal.title | Journal of the American Chemical Society | |
dc.language.iso | eng | |
dc.page.final | 29986 | |
dc.page.initial | 29977 | |
dc.publisher | American Chemical Society | |
dc.relation.projectID | PID2021- 127964NB-C22 | |
dc.relation.projectID | PID2021-127964NB-C21 | |
dc.relation.projectID | PID2022- 138288NB-C31 | |
dc.relation.projectID | PID2022-138288NB-C32 | |
dc.relation.projectID | PID2022- 138288NB-C33 | |
dc.relation.projectID | PID2020-113059GB-C21 | |
dc.relation.projectID | CEX2020-001039-S | |
dc.relation.projectID | PTA2020-018871-I | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 International | en |
dc.rights.accessRights | open access | |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.subject.cdu | 544 | |
dc.subject.keyword | Single-Molecule conductance Open | |
dc.subject.keyword | Open- Shell Diradical | |
dc.subject.keyword | Indenofluorenes | |
dc.subject.keyword | Scanning tunneling break junction | |
dc.subject.keyword | Density functional theory | |
dc.subject.keyword | Nonequilibrium Green’s function | |
dc.subject.ucm | Química física (Química) | |
dc.subject.unesco | 2307 Química Física | |
dc.title | Single-molecule conductance of neutral closed-shell and open- shell diradical indenofluorenes | |
dc.type | journal article | |
dc.type.hasVersion | VoR | |
dc.volume.number | 146 | |
dspace.entity.type | Publication | |
relation.isAuthorOfPublication | 340a9e67-3487-41f5-a6e1-fbd2be739b26 | |
relation.isAuthorOfPublication.latestForDiscovery | 340a9e67-3487-41f5-a6e1-fbd2be739b26 |
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