Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry

van Dong Pham 1 Vincent Repain 1 Cyril Chacon 1 Amandine Bellec 1 Yann Girard 1 Sylvie Rousset 1 Enrique Abad 2 Yannick Dappe 3 Alexander Smogunov 3 Jérôme Lagoute 1
1 MPQ - Laboratoire Matériaux et Phénomènes Quantiques
2 Departamento de Fisica Teorica de la Materia Condensada
3 GMT - Groupe Modélisation et Théorie
IRAMIS - Institut Rayonnement Matière de Saclay, SPEC - UMR3680 - Service de physique de l'état condensé
Abstract : The ability to trap adatoms with an organic molecule on a surface has been used to obtain a range of molecular functionalities controlled by the choice of the molecular trapping site and local deprotonation. The tetraphenylporphyrin molecule used in this study contains three types of trapping sites: two carbon rings (phenyl and pyrrole) and the center of a macrocycle. Catching a gold adatom on the carbon rings leads to an electronic doping of the molecule, whereas trapping the adatom at the macrocycle center with single deprotonation leads to a molecular rotor and a second deprotonation leads to a molecular jumper. We call " atom trapping chemistry " the control of the structure, electronic, and dynamical properties of a molecule achieved by trapping metallic atoms with a molecule on a surface. In addition to the examples previously described, we show that more complex structures can be envisaged.
Keywords : density functional theory scanning tunneling microscopy single-molecule manipulation molecular rotor
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Submitted on : Thursday, January 18, 2018 - 12:04:56 PM
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CEA | UNIV-PARIS7 | DSM-IRAMIS | IRAMIS-SPEC | USPC | UNIV-PARIS-SACLAY | CEA-DRF | CEA-UPSAY

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van Dong Pham, Vincent Repain, Cyril Chacon, Amandine Bellec, Yann Girard, et al.. Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry. ACS Nano, American Chemical Society, 2017, 11, pp.10742 - 10749. ⟨10.1021/acsnano.7b05235⟩. ⟨cea-01687079⟩

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