Anharmonicity in a double hydrogen transfer reaction studied in a single porphycene molecule on a Cu(110) surface

Author:

Liu S.12345,Baugh D.12345,Motobayashi K.678910,Zhao X.11245,Levchenko S. V.1124512,Gawinkowski S.13141516,Waluk J.1314151617ORCID,Grill L.1181920,Persson M.21222324,Kumagai T.12345ORCID

Affiliation:

1. Department of Physical Chemistry

2. Fritz-Haber Institute of the Max-Planck Society

3. Faradayweg 4-6

4. 14195 Berlin

5. Germany

6. Department of Physical Science and Engineering

7. Nagoya Institute of Technology

8. Gokiso

9. Nagoya 466-8555

10. Japan

11. Theory Department

12. Laboratory of Modelling and Development of New Materials

13. Institute of Physical Chemistry

14. Polish Academy of Sciences

15. Warsaw 01-224

16. Poland

17. Faculty of Mathematics and Natural Sciences

18. University of Graz

19. 8010 Graz

20. Austria

21. Surface Science Research Centre and Department of Chemistry

22. University of Liverpool

23. Liverpool L69 3BX

24. UK

Abstract

A pronounced anharmonicity of the N–H stretching mode in porphycene on Cu(110) is observed in the STM action and conductance spectra. DFT calculations find a strong intermode coupling of the N–H stretching with an in-plane bending mode within porphycene on the surface.

Funder

Engineering and Physical Sciences Research Council

Ministry of Education and Science of the Russian Federation

Narodowe Centrum Nauki

Max-Planck-Gesellschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference46 articles.

1. ed. J. T. Hynes , J. P. Klinman , H.-H. Limbach and R. L. Schowen , Hydrogen-Transfer Reactions , Wiley-VHC , Weinheim , 2007

2. ed. D. Hadži , Hydrogen Bonding , Pergamon Press , London , 1959

3. G. C. Pimentel and A. L.McLellan , The Hydrogen Bond , Freeman , San Francisco , 1960

4. L. Antonov , Tautomerism: Methods and Theories , Wiley , 2013

5. Vibrations and hydrogen bonding in porphycene

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