Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of approximately 0.1-4 ns. We present evidence that these re...

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Bibliographic Details
Published in:Physical review letters 2004-01, Vol.92 (4), p.046103-046103, Article 046103
Main Authors: Hansen, F Y, Criswell, L, Fuhrmann, D, Herwig, K W, Diama, A, Dimeo, R M, Neumann, D A, Volkmann, U G, Taub, H
Format: Article
Language:English
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Summary:Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of approximately 0.1-4 ns. We present evidence that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.92.046103