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 similar to0.1-4 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.
Bibliographical noteCopyright (2004) American Physical Society.
Hansen, F. Y., Criswell, L., Fuhrmann, D., Herwig, K. W., Diama, A., Dimeo, R. M., ... Taub, H. (2004). Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations. Physical Review Letters, 92(4), 046103. https://doi.org/10.1103/PhysRevLett.92.046103