English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Force-induced tautomerization in a single molecule

MPS-Authors
/persons/resource/persons104337

Ladenthin,  Janina
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons32784

Kumagai,  Takashi
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

External Resource
No external resources are shared
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Ladenthin, J., Frederiksen, T., Persson, M., Sharp, J., Gawinkowski, S., Waluk, J., et al. (2016). Force-induced tautomerization in a single molecule. Nature Chemistry, 8(10), 935-940. doi:10.1038/nchem.2552.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002A-FB44-E
Abstract
Heat transfer, electrical potential and light energy are common ways to activate chemical reactions. Applied force is another way, but dedicated studies for such a mechanical activation are limited, and this activation is poorly understood at the single-molecule level. Here, we report force-induced tautomerization in a single porphycene molecule on a Cu(110) surface at 5 K, which is studied by scanning probe microscopy and density functional theory calculations. Force spectroscopy quantifies the force needed to trigger tautomerization with submolecular spatial resolution. The calculations show how the reaction pathway and barrier of tautomerization are modified in the presence of a copper tip and reveal the atomistic origin of the process. Moreover, we demonstrate that a chemically inert tip whose apex is terminated by a xenon atom cannot induce the reaction because of a weak interaction with porphycene and a strong relaxation of xenon on the tip as contact to the molecule is formed.