Regensburg 2025 – scientific programme

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O: Fachverband Oberflächenphysik

O 100: Focus Session Chemical Imaging for the Elucidation of Molecular Structure II (joint session O/BP)

O 100.3: Talk

Friday, March 21, 2025, 11:30–11:45, H24

On-Surface Synthesis and Characterization of a Nitrogen-Containing Heterocycle — •Marco Thaler¹, Ricardo Ruvalcaba Briones², Matthias Zeilerbauer¹, Shadi Fatayer², and Laerte Patera¹ — ¹University of Innsbruck, Austria — ²King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

Nitrogen-containing heterocycles are fundamental building blocks in nature, forming the core of essential biomolecules and pharmaceuticals. This study demonstrates the on-surface formation of an N-heterocyclic organic compound via thermal activation of a tailored precursor. High-resolution non-contact atomic force microscopy (nc-AFM) provides bond-level resolution of the synthesized structures. Complementary scanning tunneling spectroscopy visualizes changes in the electronic structure resulting from the formation of the heterocycle. Density functional theory calculations (DFT) reveal the most probable reaction mechanism, highlighting the critical role of hydrogen release as the driving force of the reaction. These findings emphasize the versatility of on-surface synthesis as a powerful tool for creating complex organic compounds.

Keywords: On-surface; AFM; STM; DFT; molecules