Racemic dimers as models of chiral macrocycles self-assembled on pyrolytic graphite

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00574376" target="_blank" >RIV/61388963:_____/23:00574376 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/23:00574376 RIV/68407700:21230/23:00367153 RIV/00216208:11310/23:10471007

Výsledek na webu

<a href="https://hdl.handle.net/11104/0344708" target="_blank" >https://hdl.handle.net/11104/0344708</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cartre.2023.100284" target="_blank" >10.1016/j.cartre.2023.100284</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Racemic dimers as models of chiral macrocycles self-assembled on pyrolytic graphite

Popis výsledku v původním jazyce

Fully aromatic helicenes are fascinating building blocks for the construction of inherently chiral macrocyclic nanocarbons. Such helicene-based non-planar macrocycles interact with each other and underlying substrate and form various 2D crystals. However, the role of their chirality remains unknown. In Atomic Force Microscopy (AFM) the macrocycles show stripes with six-fold symmetry but only faintly visible internal structure that is not sufficient to see individual adsorbed molecules and identify their chirality. Here, AFM data of self-assembled helicene-based 2D molecular crystals are analyzed by a new computational method that combines various information from AFM image and expected molecular shape taken from molecular dynamic simulations. Possible molecule arrangements are thereby computed and four basic structural elements (dimers) with the smallest deviation from AFM topography image are found.n

Název v anglickém jazyce

Racemic dimers as models of chiral macrocycles self-assembled on pyrolytic graphite

Popis výsledku anglicky

Fully aromatic helicenes are fascinating building blocks for the construction of inherently chiral macrocyclic nanocarbons. Such helicene-based non-planar macrocycles interact with each other and underlying substrate and form various 2D crystals. However, the role of their chirality remains unknown. In Atomic Force Microscopy (AFM) the macrocycles show stripes with six-fold symmetry but only faintly visible internal structure that is not sufficient to see individual adsorbed molecules and identify their chirality. Here, AFM data of self-assembled helicene-based 2D molecular crystals are analyzed by a new computational method that combines various information from AFM image and expected molecular shape taken from molecular dynamic simulations. Possible molecule arrangements are thereby computed and four basic structural elements (dimers) with the smallest deviation from AFM topography image are found.n

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical 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

Carbon Trends

ISSN

2667-0569

e-ISSN

2667-0569

Svazek periodika

12

Číslo periodika v rámci svazku

Sept.

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

12

Strana od-do

100284

Kód UT WoS článku

001058446300001

EID výsledku v databázi Scopus

2-s2.0-85165538281