Single-Molecule Conductance of Neutral Closed-Shell and Open-Shell Diradical Indenofluorenes

• Published in: Journal of the American Chemical Society Vol. 146; no. 43; pp. 29977 - 29986
• Main Authors: Casares, Raquel, Rodríguez-González, Sandra, Martínez-Pinel, Álvaro, Márquez, Irene R., González, M. Teresa, Díaz, Cristina, Martín, Fernando, Cuerva, Juan M., Leary, Edmund, Millán, Alba
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 30-10-2024
• ISSN: 0002-7863; 1520-5126; 1520-5126
• DOI: 10.1021/jacs.4c13551

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.