Supplementary Information: Tuning the spin interaction in nonplanar organic diradicals through mechanical manipulation

Detailed synthetic description of the molecular precursors of 2-OS and SMe-2OS, and corresponding spectroscopic data; additional STM and STS data: sample after deposition of diol 1, on-surface generation of 2-OS by tip-induced reactions, manipulation experiments on 2-OS, on-surface generation of SMe...

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Detalles Bibliográficos
Autores: Vegliante, Alessio, Fernández, Saleta, Ortiz, Ricardo, Vilas-Varela, Manuel, Baum, Thomas Y., Friedrich, Niklas, Romero Lara, Francisco, Aguirre Baños, Andrea, Vaxevani, Katerina, Wang, Dongfei, García-Fernández, Carlos, Zant, Herre S. J. van der, Frederiksen, Thomas, Peña, Diego, Pascual, José I.
Tipo de recurso: conjunto de datos
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/373934
Acceso en línea:http://hdl.handle.net/10261/373934
Access Level:acceso abierto
Descripción
Sumario:Detailed synthetic description of the molecular precursors of 2-OS and SMe-2OS, and corresponding spectroscopic data; additional STM and STS data: sample after deposition of diol 1, on-surface generation of 2-OS by tip-induced reactions, manipulation experiments on 2-OS, on-surface generation of SMe-2OS, computed derivative of the dI/dV spectra in Figure 4; complementary MFH calculations; DFT study of the adsorption geometry of 2-OS on Au(111) and of the changes due to interactions with the STM tip, and DFT calculations including the effects of temperature.