Adsorbed hypostrophene:can it roll on a surface by rearrangement of bonds?

Das, Bidisa and Sebastian, KL (2000) Adsorbed hypostrophene:can it roll on a surface by rearrangement of bonds? In: Chemical Physics Letters, 330 (3-4). pp. 433-439.

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Abstract

Hypostrophene is well-known to undergo the degenerate Cope rearrangement. Our calculations show that hypostrophene Chemisorbed on the Al(100) surface can undergo a similar rearrangement involving only single bonds, resulting in a net movement of the molecule on the surface. The activation energy is found to be 16.9 kcal/mol. The usual di€usional (sliding) motion is found to have activation energy about five times larger. Degenerate Cope rearrangement of free hypostrophene has a barrier of 25.3 kcal/mol and the metal decreases this value, even though the adsorbed molecule has no double bonds in it.

Item Type:	Journal Article
Publication:	Chemical Physics Letters
Publisher:	Elsevier
Additional Information:	Copyright of this article belongs to Elsevier.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	16 Aug 2006
Last Modified:	19 Sep 2010 04:30
URI:	http://eprints.iisc.ac.in/id/eprint/8050

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