Charge-Induced Structural Changes in a Single Molecule Investigated by Atomic Force Microscopy

Scheuerer, Philipp and Patera, Laerte L. and Simbuerger, Felix and Queck, Fabian and Swart, Ingmar and Schuler, Bruno and Gross, Leo and Moll, Nikolaj and Repp, Jascha (2019) Charge-Induced Structural Changes in a Single Molecule Investigated by Atomic Force Microscopy. PHYSICAL REVIEW LETTERS, 123 (6): 066001. ISSN 0031-9007, 1079-7114

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Abstract

Intramolecular structural relaxations occurring upon electron transfer are crucial in determining the rate of redox reactions. Here, we demonstrate that subangstrom structural changes occurring upon single-electron charging can be quantified by means of atomically resolved atomic force microscopy (AFM) for the case of single copper(II)phthalocyanine (CuPc) molecules deposited on an ultrathin NaCl film. Imaging the molecule in distinct charge states (neutral and anionic) reveals characteristic differences in the AFM contrast. In comparison to density functional theory simulations these changes in contrast can be directly related to relaxations of the molecule's geometric structure upon charging. The dominant contribution arises from a nonhomogeneous vertical relaxation of the molecule, caused by a change in the electrostatic interaction with the surface.

Item Type: Article
Uncontrolled Keywords: ELECTRON-TRANSFER; STATE; RESOLUTION; ADSORPTION; SURFACE; SENSOR; SWITCH; CU;
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Experimental and Applied Physics > Chair Professor Giessibl > Group Jascha Repp
Depositing User: Dr. Gernot Deinzer
Date Deposited: 06 Apr 2020 11:46
Last Modified: 06 Apr 2020 11:46
URI: https://pred.uni-regensburg.de/id/eprint/26447

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