PMID: 9550344Apr 29, 1998Paper

Methyl tunnelling, reorientation and NMR relaxation in solid acetates

Solid State Nuclear Magnetic Resonance
A KuhnenW Müller-Warmuth

Abstract

Rotational excitations of methyl groups in six solid acetates have been investigated by 1H nuclear magnetic resonance (NMR) relaxation time measurements at 15 MHz and 30 MHz and at temperatures between 10 K and the melting point. Hindering barriers between 1.6 kJ/mol and 3.7 kJ/mol have been found that could be correlated to the tunnelling frequencies observed by inelastic neutron scattering. A consistent description of the relaxation rate dependences from the classical regime at high temperatures to the quantum-mechanical regime at low temperatures is possible by Haupt's equation. The rotational potentials are mainly determined by inter-molecular interaction with an important influence of water of crystallization, if present.

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