dc.contributor.author | Wang, Tao | |
dc.contributor.author | Berdonces Layunta, Alejandro | |
dc.contributor.author | Friedrich, Niklas | |
dc.contributor.author | Vilas Varela, Manuel | |
dc.contributor.author | Calupitan, Jan Patrick | |
dc.contributor.author | Pascual Chico, José Ignacio | |
dc.contributor.author | Peña, Diego | |
dc.contributor.author | Casanova Casas, David | |
dc.contributor.author | Corso, Martina | |
dc.contributor.author | García de Oteyza Feldermann, Dimas | |
dc.date.accessioned | 2022-03-28T07:33:56Z | |
dc.date.available | 2022-03-28T07:33:56Z | |
dc.date.issued | 2022-03-07 | |
dc.identifier.citation | Journal of the American Chemical Society 144(10) : 4522–4529 (2022) | es_ES |
dc.identifier.issn | 520-5126 | |
dc.identifier.uri | http://hdl.handle.net/10810/56099 | |
dc.description.abstract | [EN] Nitrogen heteroatom doping into a triangulene molecule allows tuning its magnetic state. However, the synthesis of the nitrogen-doped triangulene (aza-triangulene) has been challenging. Herein, we report the successful synthesis of aza-triangulene on the Au(111) and Ag(111) surfaces, along with their characterizations by scanning tunneling microscopy and spectroscopy in combination with density functional theory (DFT) calculations. Aza-triangulenes were obtained by reducing ketone-substituted precursors. Exposure to atomic hydrogen followed by thermal annealing and, when necessary, manipulations with the scanning probe afforded the target product. We demonstrate that on Au(111), aza-triangulene donates an electron to the substrate and exhibits an open-shell triplet ground state. This is derived from the different Kondo resonances of the final aza-triangulene product and a series of intermediates on Au(111). Experimentally mapped molecular orbitals match with DFT-calculated counterparts for a positively charged aza-triangulene. In contrast, aza-triangulene on Ag(111) receives an extra electron from the substrate and displays a closed-shell character. Our study reveals the electronic properties of aza-triangulene on different metal surfaces and offers an approach for the fabrication of new hydrocarbon structures, including reactive open-shell molecules. | es_ES |
dc.description.sponsorship | We acknowledge financial support from MCIN/AEI/10.13039/501100011033 (grant nos. PID2019-107338RB-C61, PID2019-107338RB-C62, PID2019-107338RB-C63, PID2019-109555GB-I00, and FJC2019-041202-I); the Basque Government (IT-1255-19 and PIBA19-0004); the Spanish Research Council (ILINKC20002), the European Union’s Horizon 2020 research and innovation program (grant no. 863098 and Marie Skłodowska-Curie Actions Individual Fellowship no. 101022150); and the Xunta de Galicia (Centro Singular de Investigación de Galicia, 2019-2022, grant no. ED431G2019/03). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/863098 | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/101022150 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2019-107338RB-C61 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2019-107338RB-C62 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2019-107338RB-C63 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2019-109555GB-I00 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/FJC2019-041202-I | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.title | Aza-Triangulene: On-Surface Synthesis and Electronic and Magnetic Properties | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © 2022 American Chemical Society. Attribution 4.0 International (CC BY 4.0) | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://pubs.acs.org/doi/10.1021/jacs.1c12618 | es_ES |
dc.identifier.doi | 10.1021/jacs.1c12618 | |
dc.contributor.funder | European Commission | |