Effect of Charge-Assisted Hydrogen Bonds on Single-Molecule Electron Transport
| Autor: | Javier Ramos-Soriano, Irene R. Márquez, Nazario Martín, Gabino Rubio-Bollinger, Edmund Leary, Valentina Sacchetti, M. Teresa González, Beatriz M. Illescas, Fabian Pauly, Dongzhe Li, Nicolás Agraït, Lucía Palomino‐Ruiz |
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| Rok vydání: | 2019 |
| Předmět: |
Materials science
Hydrogen bond Supramolecular chemistry Ionic bonding Conductance 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention Crystallography General Energy law Molecule Physical and Theoretical Chemistry Scanning tunneling microscope 0210 nano-technology Break junction HOMO/LUMO |
| Zdroj: | Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia instname |
| Popis: | The effect of the in-backbone presence of charge-assisted hydrogen bonds (CAHBs) in the conductance of single-molecule junctions has been studied by the scanning tunneling microscope break junction technique. In particular, two amidinium–carboxylate supramolecular complexes of different lengths have been tested. We observed that the ionic character that gives extra stability to the CAHB is a hindrance toward the electron transport through the complexes. Theoretical calculations using the DFT + Σ method indicate that both the highest occupied molecular orbital and lowest unoccupied molecular orbital of the complexes are fully localized in only one of the moieties of the complex explaining the low single-molecular conductance of the compounds. |
| Databáze: | OpenAIRE |
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