Protruding hydrogen atoms as markers for the molecular orientation of a metallocene

Autor(en): Laflor, Linda
Reichling, Michael 
Rahe, Philipp 
Stichwörter: BARRIER; calcium fluoride (CaF2); DIFFRACTION; FERROCENE; FORCE MICROSCOPY; functionalised tips; high-resolution imaging; INTERNAL-ROTATION; Materials Science; Materials Science, Multidisciplinary; Nanoscience & Nanotechnology; non-contact atomic force microscopy; Physics; Physics, Applied; Science & Technology - Other Topics; SURFACE
Erscheinungsdatum: 2020
Herausgeber: BEILSTEIN-INSTITUT
Journal: BEILSTEIN JOURNAL OF NANOTECHNOLOGY
Volumen: 11
Startseite: 1432
Seitenende: 1438
Zusammenfassung: 
A distinct dumbbell shape is observed as the dominant contrast feature in the experimental data when imaging 1,1'-ferrocene dicarboxylic acid (FDCA) molecules on bulk and thin film CaF2(111) surfaces with non-contact atomic force microscopy (NC-AFM). We use NC-AFM image calculations with the probe particle model to interpret this distinct shape by repulsive interactions between the NC-AFM tip and the top hydrogen atoms of the cyclopentadienyl (Cp) rings. Simulated NC-AFM images show an excellent agreement with experimental constant-height NC-AFM data of FDCA molecules at several tip-sample distances. By measuring this distinct dumbbell shape together with the molecular orientation, a strategy is proposed to determine the conformation of the ferrocene moiety, herein on CaF2(111) surfaces, by using the protruding hydrogen atoms as markers.
ISSN: 21904286
DOI: 10.3762/bjnano.11.127

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