Publication
Title
Mercator maps of orientations of a molecule in single-walled nanotubes with distinct radii
Author
Abstract
We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering.
Language
English
Source (journal)
AIP conference proceedings / American Institute of Physics. - New York
Publication
Melville : Amer inst physics, 2005
ISSN
0094-243X
Volume/pages
786(2005), p. 69-72
ISI
000233616400016
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 24.02.2012
Last edited 24.09.2017
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