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

0557184 - ÚOCHB 2023 RIV US eng J - Journal Article
Rončević, Igor - Kaletová, Eva - Varga, Katarina - Císařová, I. - Bastl, Zdeněk - Jiang, J.-C. - Kaleta, Jiří
Molecular Bending: An Important Factor Affecting the Packing of Self-Assembled Monolayers of Triptycene-Based Molecular Rods on a (111) Gold Surface.
Journal of Physical Chemistry C. Roč. 126, č. 16 (2022), s. 7193-7207. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA20-13745S; GA MŠMT EF16_026/0008382
Research Infrastructure: CERN-CZ II - 90104; e-INFRA CZ - 90140
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : orientation * derivatives * alkylation
OECD category: Organic chemistry; Physical chemistry (UFCH-W)
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcc.1c10627?ref=pdf

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.
Permanent Link: http://hdl.handle.net/11104/0331250


Research data: CCDC, CCDC, CCDC