Literature DB >> 14995389

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

F Y Hansen1, L Criswell, D Fuhrmann, K W Herwig, A Diama, R M Dimeo, D A Neumann, U G Volkmann, H Taub.   

Abstract

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.

Entities:  

Year:  2004        PMID: 14995389     DOI: 10.1103/PhysRevLett.92.046103

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  1 in total

1.  Molecular simulations of intermediate and long alkanes adsorbed on graphite: tuning of non-bond interactions.

Authors:  Lucyna Firlej; Bogdan Kuchta; Michael W Roth; Carlos Wexler
Journal:  J Mol Model       Date:  2010-06-22       Impact factor: 1.810

  1 in total

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