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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.


I. S. Ulusoy

Y. Scribano

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Dr David Benoit
Senior Lecturer in Molecular Physics and Astrochemistry

A. Tschetschetkin

N. Maurer

B. Koslowski

P. Ziemann


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.


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.

Journal Article Type Article
Acceptance Date Oct 1, 2010
Online Publication Date Oct 29, 2010
Publication Date Dec 31, 2011
Print ISSN 1463-9076
Electronic ISSN 1463-9084
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 13
Issue 2
Pages 612-618
Keywords Physical and Theoretical Chemistry; General Physics and Astronomy
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