Inside Cover: Quantum Influences in the Diffusive Motion of Pyrrole on Cu(111) (Angew. Chem. Int. Ed. 19/2013). Issue 19 (9th April 2013)

• Record Type: Journal Article
• Authors: Lechner, Barbara A. J.; Hedgeland, Holly; Ellis, John; Allison, William; Sacchi, Marco; Jenkins, Stephen J.; Hinch, B. J.
• Is Part Of: Angewandte Chemie international edition. Volume 52:Issue 19(2013)
• Page Start: 4958
• Page End: 4958
• Publication Date: 2013-04-09
• Subjects: ab initio calculations -- adsorption -- single‐molecule studies -- surface chemistry -- transition states; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201302289
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract : Molecules are commonly thought of as classical objects obeying Newtonian mechanics. However, in their Communication on page 5085 ff., B. A. J. Lechner et al. describe how the diffusion of pyrrole on a Cu(111) surface is determined by the quantum character of the internal vibrations of the molecule. Bending and torsion modes are found to be responsible for the tripling of the barrier to diffusion through lateral changes in their zero point energies.