Molecular Bending: An Important Factor Affecting the Packing of Self-Assembled Monolayers of Triptycene-Based Molecular Rods on a (111) Gold Surface

Rončević, Igor; Kaletová, Eva; Varga, Katarina; Císařová, I.; Bastl, Zdeněk; Jiang, J.-C.; Kaleta, Jiří

doi:https://dx.doi.org/10.1021/acs.jpcc.1c10627

Number of the records: 1

Molecular Bending: An Important Factor Affecting the Packing of Self-Assembled Monolayers of Triptycene-Based Molecular Rods on a (111) Gold Surface

1.

SYSNO ASEP	0557184
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Molecular Bending: An Important Factor Affecting the Packing of Self-Assembled Monolayers of Triptycene-Based Molecular Rods on a (111) Gold Surface
Author(s)	Rončević, Igor (UOCHB-X)_{ORCID, RID} Kaletová, Eva (UOCHB-X)_RID Varga, Katarina (UOCHB-X) Císařová, I. (CZ) Bastl, Zdeněk (UFCH-W)_{RID, ORCID} Jiang, J.-C. (TW) Kaleta, Jiří (UOCHB-X)_{RID, ORCID}
Source Title	Journal of Physical Chemistry C. - : American Chemical Society - ISSN 1932-7447 Roč. 126, č. 16 (2022), s. 7193-7207
Number of pages	15 s.
Language	eng - English
Country	US - United States
Keywords	orientation ; derivatives ; alkylation
OECD category	Organic chemistry
R&D Projects	GA20-13745S GA ČR - Czech Science Foundation (CSF)
	EF16_026/0008382 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
Research Infrastructure	CERN-CZ II - 90104 - Fyzikální ústav AV ČR, v. v. i. e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob
Method of publishing	Limited access
Institutional support	UOCHB-X - RVO:61388963 ; UFCH-W - RVO:61388955
UT WOS	000797817500029
EID SCOPUS	85128583618
DOI	10.1021/acs.jpcc.1c10627
Annotation	The present study has identified molecular bending as an important factor that has a profound effect on the self-assembly of originally rod-shaped organic molecules on a (111) gold surface. This was demonstrated on three specifically designed rigid molecular rods carrying archetypal anchoring groups (pyridyl units and thiols) on one terminus. These rods were used to prepare corresponding self-assembled monolayers (SAMs), and a combination of various analytical techniques revealed that originally straight molecular rods that were bent once adsorbed on a metallic surface, acquiring a characteristic „J-shape“. Extensive density functional theory calculations, including in silico reconstruction of such SAMs on (111) gold, clearly confirmed experimental observations.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
Year of Publishing	2023
Electronic address	https://pubs.acs.org/doi/10.1021/acs.jpcc.1c10627?ref=pdf

Number of the records: 1