Vibrations of a single adsorbed organic molecule: anharmonicity matters!

Ulusoy, I. S.; Scribano, Y.; Benoit, D. M.; Tschetschetkin, A.; Maurer, N.; Koslowski, B.; Ziemann, P.

doi:10.1039/c0cp01289k

Vibrations of a single adsorbed organic molecule: anharmonicity matters!

Ulusoy, I. S.; Scribano, Y.; Benoit, D. M.; Tschetschetkin, A.; Maurer, N.; Koslowski, B.; Ziemann, P.

Authors

I. S. Ulusoy

Y. Scribano

Dr David Benoit D.Benoit@hull.ac.uk
Senior Lecturer in Molecular Physics and Astrochemistry

A. Tschetschetkin

N. Maurer

B. Koslowski

P. Ziemann

Abstract

Vibrational spectroscopy is a powerful tool to identify molecules and to characterise their chemical state. Inelastic electron tunnelling spectroscopy (IETS) combined with scanning tunnelling microscopy (STM) allows the application of vibrational analysis to a single molecule. Up to now, IETS was restricted to small species due to the complexity of vibration spectra for larger molecules. We extend the horizon of IETS for both experiment and theory by measuring the STM-IETS spectra of mercaptopyridine adsorbed on the (111) surface of gold and comparing it to theoretical spectra. Such complex spectra with more than 20 lines can be reliably determined and computed leading to completely new insights. Experimentally, the vibrational spectra exhibit a dependence on the specific adsorption site of the molecules. Theoretically, this dependence is only accessible if anharmonic contributions to the interaction potentials are included. These joint experimental and theoretical advances open new perspectives for structure determination of organic adlayers.

Citation

Ulusoy, I. S., Scribano, Y., Benoit, D. M., Tschetschetkin, A., Maurer, N., Koslowski, B., & Ziemann, P. (2011). Vibrations of a single adsorbed organic molecule: anharmonicity matters!. Physical chemistry chemical physics : PCCP, 13(2), 612-618. https://doi.org/10.1039/c0cp01289k

Journal Article Type	Article
Acceptance Date	Oct 1, 2010
Online Publication Date	Oct 29, 2010
Publication Date	Dec 31, 2011
Journal	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Print ISSN	1463-9076
Electronic ISSN	1463-9084
Publisher	Royal Society of Chemistry
Peer Reviewed	Peer Reviewed
Volume	13
Issue	2
Pages	612-618
DOI	https://doi.org/10.1039/c0cp01289k
Keywords	Physical and Theoretical Chemistry; General Physics and Astronomy
Public URL	https://hull-repository.worktribe.com/output/399989