Das, Bidisa and Sebastian, KL (2005) Molecular roller and rocker on surfaces. In: Journal of Computational and Theoretical Nanoscience, 2 (1). pp. 117-123.
Full text not available from this repository. (Request a copy)Abstract
We present theoretical studies of a 'molecular roller' and a 'molecular rocker.' syn-tricyclooctadiene molecule chemisorbed on Al(100) can undergo a 'Cope like' rearrangement and behave like a molecular roller. The barrier height for the rolling motion is found to be 13.64 kcal/mol. We also present our results for a molecular rocker—semibullvalene molecule chemisorbed on Al(100) surface. We find that it can behave like a rocker with a barrier height of 21.57 kcal/mol for the rocking motion.
| Item Type: | Journal Article |
|---|---|
| Publication: | Journal of Computational and Theoretical Nanoscience |
| Publisher: | American Scientific Publishers |
| Additional Information: | Copyright of this article belongs to American Scientific Publishers |
| Keywords: | Fluxionality;Molecular Roller;Molecular Rocker; Syn-Tricyclooctadiene;Semibullvalene;Nanotechnology |
| Department/Centre: | Division of Chemical Sciences > Inorganic & Physical Chemistry |
| Date Deposited: | 10 Apr 2007 |
| Last Modified: | 27 Aug 2008 12:36 |
| URI: | http://eprints.iisc.ac.in/id/eprint/9759 |
Actions (login required)
 |
View Item |
