Coverage-modulated halogen bond geometry transformation in supramolecular assemblies

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F23%3A73621221" target="_blank" >RIV/61989592:15640/23:73621221 - isvavai.cz</a>

Alternative codes found

RIV/68407700:21340/23:00369783

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2023/NR/D3NR03899H" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2023/NR/D3NR03899H</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d3nr03899h" target="_blank" >10.1039/d3nr03899h</a>

Result language

angličtina

Original language name

Coverage-modulated halogen bond geometry transformation in supramolecular assemblies

Original language description

Halogen bonding (HB) has emerged as a promising route for designing supramolecular assemblies due to its directional nature and versatility in modifying interactions through the choice of halogens and molecular entities. Despite this, methods for tuning these interactions on surfaces, particularly in terms of directionality, are limited. In this study, we present a strategy for tuning the directionality of self-assembly processes in homomolecular organic compounds on inert metal surfaces. A variety of halogen-halogen geometries can promote highly-extended one-dimensional or two-dimensional self-assembly depending on the molecular coverage. Our results indicate that under lower molecular coverage conditions, robust one-dimensional (1D) structures promote the self-assembly of halogen-bonded molecules on Au(111). At certain coverage, a transformation from type-I to synthon halogen bonding is observed, leading to an extended hexagonal pattern of molecular assembly. The atomistic details of the structures are experimentally studied using high-resolution atomic force microscopy and supported by first-principle calculations. We employed DFT to evaluate the interplay between electrostatics and dispersion forces driving both type-I and synthon assemblies. The results reveal a halogen-bond geometry transformation induced by a subtle balance of molecule-molecule interaction. Finally, we investigate the capability of the halogen-bonded supramolecular assembly to periodically confine electronic quantum states and single atoms. Our findings demonstrate the versatility of sigma-bonding in regulating molecular assembly and provide new insights for tailoring functional molecular structures on an inert metal substrate.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

21002 - Nano-processes (applications on nano-scale); (biomaterials to be 2.9)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2023

Confidentiality

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

Name of the periodical

Nanoscale

ISSN

2040-3364

e-ISSN

2040-3372

Volume of the periodical

15

Issue of the periodical within the volume

40

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

"16354 "- 16361

UT code for WoS article

001073705000001

EID of the result in the Scopus database

2-s2.0-85174865983