MATHEMATICAL METHOD FOR SUBMOLECULAR RESOLUTION OF HELICENE-BASED MACROCYCLES BY ATOMIC FORCE MICROSCOPY IN AIR

1,2 UKRAINTSEV Egor
Co-authors:
3,4 HOUSKA Václav 3 VACEK Jaroslav 3 STARÝ Ivo 3 STARÁ Irena G. 1 REZEK Bohuslav
Institutions:
1 Faculty of Electrical Engineering, Czech Technical University, Prague, Czech Republic
2 Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, Prague 6, Czech Republic
3 Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic.
4 Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 40 Prague 2, Czech Republic.
Conference:
11th International Conference on Nanomaterials - Research & Application, Hotel Voronez I, Brno, Czech Republic, EU, October 16th - 18th 2019
Proceedings:
Proceedings 11th International Conference on Nanomaterials - Research & Application
Pages:
561-567
ISBN:
978-80-87294-95-6
ISSN:
2694-930X
Published:
1st April 2020
Proceedings of the conference have been sent to Web of Science and Scopus for evaluation and potential indexing.
Metrics:
40 views / 13 downloads
Abstract

We introduce a straightforward mathematical method for improving the AFM image resolution, applied to image analysis of helicene-based macrocycles adsorbed on HOPG. The method reveals structural details from insufficiently resolved AFM images and attributes them to internal structure and ordering of the macrocycles. Our findings are also corroborated by molecular mechanics simulations, validating that the structure provided by the method has lower potential energy compared to other tested macrocycle arrangements.

Keywords: Atomic force microscope, mathematical modeling, submolecular resolution, macrocycles, molecular mechanics simulations
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