COMMO

Permanent URI for this collectionhttps://hdl.handle.net/10347/34315

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Dodecacene generated on surface: reopening of the energy gap
(ACS Publications, 2019-12-12) Eisenhut, Frank; Kühne, T.; García Melo, Fátima; Fernández Castro, Saleta; Guitián Rivera, Enrique; Pérez Meirás, María Dolores; Trinquier, Georges; Cuniberti, Gianaurelio; Joachim, Christian; Peña Gil, Diego; Moresco, Francesca; Universidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS); Universidade de Santiago de Compostela. Departamento de Química Orgánica
The acene series represents a model system to investigate the intriguing electronic properties of extended π-electron structures in the one-dimensional limit, which are important for applications in electronics and spintronics and for the fundamental understanding of electronic transport. This article presents the on-surface generation of the longest acene obtained so far: dodecacene. Scanning tunneling spectroscopy gives access to the energy position and spatial distribution of its electronic states on the Au(111) surface. We observe that, after a progressive closing of the gap and a stabilization to about 1 eV at the length of decacene and undecacene, the energy gap of dodecacene unexpectedly increases to 1.4 eV. Considering the acene series as an exemplary general case, the paper discusses the evolution with length of the single tunneling resonances in comparison with ionization energy, electronic affinity, and optical gap
Synthesis and characterization of a non-planar cyclophenylene on Au(111)
(Wiley-VCH GmbH, 2025-03-17) Salaverría Bugallo, Sergio; Irizar Landa, Martín; Janeiro Rodríguez, Jesús; Angulo Portugal, Paula; Wang, Tao; Calupitan, Jan Patrick; Rodríguez Fernández, Jonathan; García Lekue, Aran; Corso, Martina; Artacho, Emilio; Peña Gil, Diego; Pérez Meirás, María Dolores; Oteyza, Dimas G. de; Universidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS); Universidade de Santiago de Compostela. Departamento de Química Orgánica
The article reports the surface-assisted synthesis of a non-planar cyclophenylene derivative containing four meta- and two para-connected phenylene moieties on Au(111), via hierarchical Ullmann coupling of a 1,10 dibrominated angular [3]phenylene and subsequent C–C bond cleavage at the four-membered rings. Scanning tunneling microscopy and spectroscopy (STM/STS) were used for the characterization of its chemical structure and electronic properties. Density functional theory (DFT) calculations support the experimental observations
On-Surface Stepwise Double Dehydrogenation for the Formation of a para-Quinodimethane-Containing Undecacene Isomer
(Wiley, 2024-07-20) Sarkar, Suchetana; Álvarez, Berta; Ho Au-Yeung, Kwan; Cobas Martínez, Agustín; Robles, Roberto; Lorente, Nicolás; Peña Gil, Diego; Pérez Meirás, María Dolores; Moresco, Francesca; Universidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS); Universidade de Santiago de Compostela. Departamento de Química Orgánica
The on-surface synthesis of an isomer of undecacene, bearing two four-membered rings and two para-quinodimethane moieties, starting from a tetramethyl-substituted diepoxy precursor, is presented. The transformation implies a thermal double deoxygenation followed by a stepwise double dehydrogenation reaction on the Au(111) surface, locally induced by inelastic tunneling electrons. This results in the transformation of para-dimethylbenzene moieties into non-aromatic para-quinodimethanes. The structures and electronic properties of the intermediate and final products are investigated at the single molecule level with high spatial resolution, using both scanning tunneling microscopy/spectroscopy and non-contact atomic force microscopy. The experimental results are supported by density functional theory calculations.

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