期刊
NATURE CHEMISTRY
卷 8, 期 10, 页码 935-940出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/NCHEM.2552
关键词
-
资金
- Morino Foundation for Molecular Science
- Basque Deptamento de Educacion
- UPV/EHU [IT-756-13]
- Spanish Ministerio de Economia y Competitividad [MAT2013-46593-C6-2-P]
- EU Integrated Project PAMS [610446]
- EPSRC [EP/L000202, EP/K000225/1]
- Polish National Science Centre [DEC-2011/02/A/ST5/00043]
- University of Liverpool
- Engineering and Physical Sciences Research Council [EP/K000209/1, EP/K000225/1] Funding Source: researchfish
- EPSRC [EP/K000225/1, EP/K000209/1] Funding Source: UKRI
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据