![Bending molecular rods](https://webarchiv.lib.cas.cz:443/wayback/20220506182154im_/https://www.uochb.cz/upload/files/4e/b7/4eb7dc7d1c0088d37fd8c0fec1a9837ac93f0d4e.jpg)
The team led by Jiří Kaleta, with Igor Rončević as the first author, found out that molecular bending is an important factor that has a profound effect on the self-assembly of originally rod-shaped organic molecules on a (111) gold surface. Their paper was featured on the front cover of the latest issue of The Journal of Physical Chemistry C.
![](https://webarchiv.lib.cas.cz:443/wayback/20220506182154im_/https://www.uochb.cz/upload/files/fc/1b/fc1b26eb537d9e79653d47364c5c4fe9d6f19ec3.jpg)
Researchers prepared three specifically designed rigid molecular rods carrying archetypal anchoring groups (pyridyl units and thiols) on one terminus and used them to prepare corresponding self-assembled monolayers (SAM).
A combination of various analytical techniques revealed that once adsorbed on a metallic surface, the originally straight molecular rods are immediately bent acquiring a characteristic "J" shape. Extensive density functional theory calculations, including in silico reconstruction of such SAMs on (111) gold, clearly confirmed experimental observations.
Original paper:
- Rončević, I.; Kaletová, E.; Varga, K.; Císařová, I.; Bastl, Z.; Jiang, J.-C.; Kaleta, J. Molecular Bending: An Important Factor Affecting the Packing of Self-Assembled Monolayers of Triptycene-Based Molecular Rods on a (111) Gold Surface. The Journal of Physical Chemistry C 2022, 126, 7193-7207. https://doi.org/10.1021/acs.jpcc.1c10627