RT Journal Article
T1 Unravelling the Open-Shell Character of Peripentacene on Au(111)
A1 Sánchez-Grande, Ana
A1 Urgel, José I.
A1 Veis, Libor
A1 Edalatmanesh, Shayan
A1 Santos Barahona, José Manuel
A1 Lauwaet, Koen
A1 Mutombo, Pingo
A1 Gallego, José
A1 Brabec, Jiri
A1 Beran, Pavel
A1 Nachtigallová, Dana
A1 Miranda, Rodolfo
A1 Martín León, Nazario
A1 Jelínek, Pavel
A1 Écija, David
AB Polycyclic aromatic hydrocarbons (PAHs) are a family of organic compounds comprising two or more fused aromatic rings which feature manifold applications in modern technology. Among these species, those presenting an open-shell magnetic ground state are of particular interest for organic electronic, spintronic, and non-linear optics and energy storage devices. Within PAHs, special attention has been devoted in recent years to the synthesis and study of the acene and fused acene (periacene) families, steered by their decreasing HOMO–LUMO gap with length and predicted open-shell character above some size. However, an experimental fingerprint of such magnetic ground state has remained elusive. Here, we report on the in-depth electronic characterization of isolated peripentacene molecules on a Au(111) surface. Scanning tunnelling spectroscopy, complemented by computational investigations, reveals an antiferromagnetic singlet ground state, characterized by singlet–triplet inelastic excitations with an experimental effective exchange coupling (Jeff) of 40.5 meV. Our results deepen the fundamental understanding of organic compounds with magnetic ground states, featuring perspectives in carbon-based spintronic devices.
PB American Chemical Society
SN 1948-7185
YR 2020
FD 2020
LK https://hdl.handle.net/20.500.14352/93424
UL https://hdl.handle.net/20.500.14352/93424
LA eng
NO Sánchez-Grande, A.; Urgel, J. I.; Veis, L.; Edalatmanesh, S.; Santos, J.; Lauwaet, K.; Mutombo, P.; Gallego, J. M.; Brabec, J.; Beran, P.; Nachtigallová, D.; Miranda, R.; Martín, N.; Jelínek, P.; Écija, D. Unravelling the Open-Shell Character of Peripentacene on Au(111). J. Phys. Chem. Lett. 2021, 12, 330-336 DOI:10.1021/acs.jpclett.0c02518.
DS Docta Complutense
RD 10 abr 2025