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Single-molecule conductance of neutral closed-shell and open- shell diradical indenofluorenes

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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)

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

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