A small molecule walks along a surface between porphyrin fences that are assembled In situ

Haq, Sam, Wit, Bareld, Sang, Hongqian , Floris, Andrea, Wang, Yu, Wang, Jianbo, Pérez-García, Lluïsa, Kantorovitch, Lev, Amabilino, David B. and Raval, Rasmita (2015) A small molecule walks along a surface between porphyrin fences that are assembled In situ. Angewandte Chemie International Edition, 54 (24). pp. 7101-7105. ISSN 1433-7851

22784 Revised Raval Angewandte Manuscript.pdf
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Item Type:Article
Item Status:Live Archive


An on-surface bimolecular system is described, comprising a simple divalent bis(imidazolyl) molecule that is shown to “walk” at room temperature via an inchworm mechanism along a specific pathway terminated at each end by oligomeric “fences” constructed on a monocrystalline copper surface. Scanning tunneling microscopy shows that the motion of the walker occurs along the [1equation image0] direction of the Cu surface with remarkably high selectivity and is effectively confined by the orthogonal construction of covalent porphyrin oligomers along the [001] surface direction, which serve as barriers. Density functional theory shows that the mobile molecule walks by attaching and detaching the nitrogen atoms in its imidazolyl “legs” to and from the protruding close-packed rows of the metal surface and that it can transit between two energetically equivalent extended and contracted conformations by overcoming a small energy barrier.

Keywords:diffusion; molecular machines; nanomaterials; scanning tunneling microscopy; surface chemistry, NotOAChecked
Subjects:F Physical Sciences > F343 Computational Physics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:22784
Deposited On:01 Apr 2016 20:00

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