Visualization of π-hole in molecules by means of Kelvin probe force microscopy

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00575231" target="_blank" >RIV/61388963:_____/23:00575231 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/23:00575231 RIV/61989592:15640/23:73620832 RIV/61989592:15310/23:73620832 RIV/61989100:27740/23:10253090

Výsledek na webu

<a href="https://hdl.handle.net/11104/0345262" target="_blank" >https://hdl.handle.net/11104/0345262</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41467-023-40593-3" target="_blank" >10.1038/s41467-023-40593-3</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Visualization of π-hole in molecules by means of Kelvin probe force microscopy

Popis výsledku v původním jazyce

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 supports 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.

Název v anglickém jazyce

Visualization of π-hole in molecules by means of Kelvin probe force microscopy

Popis výsledku anglicky

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 supports 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nature Communications

ISSN

2041-1723

e-ISSN

2041-1723

Svazek periodika

14

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

4954

Kód UT WoS článku

001051097300025

EID výsledku v databázi Scopus

2-s2.0-85168260772