Year: 2023
Type: preprint
Abstract: Submolecular charge distribution significantly affects the physical-chemical properties of molecules and their mutual interaction. One example is the presence of a π-electron-deficient cavity in halogen-substituted polyaromatic hydrocarbon compounds, the so-called π-holes, the existence of which was predicted theoretically, but the direct experimental observation is still missing. Here we present the resolution of the π-hole on a single molecule using the Kelvin probe force microscopy, which confirms the theoretical prediction of its existence. In addition, experimental measurements supported by theoretical calculations show the importance of π-holes in the process of adsorption of molecules on solid-state surfaces. This study expands our understanding of the π-hole systems and, at the same time, opens up possibilities for studying the influence of submolecular charge distribution on the chemical properties of molecules and their mutual interaction.
Source: Research Square
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Awards: G1059663884, G12500569, Atomic-scale control and visualization of charge delocalization in light-harvesting molecular nanomodels, G1293671712, G176604203, G2507835933, Research infrastructure CzechNanoLab, G291036901, G304813024, G3490171961, G4131035492, G4312061098, G4910626362, G5011157824, G5641063287, G5861785235, G5916014575, G6167958565, G6174040907, 1D molecular chains on surfaces, G7363506711, G7615078301, G8113226877, Control of electronic properties of metal-containing molecules through their noncovalent interactions with solvents, ligands and 2D nanosystems
OpenAlex ID: W4366204150