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Herma Cuppen answered: Rotation barriers about the C–NH3+ bond depend on the motive of the hydrogen bonding network in the crystalline phases. For DL-norleucine this motive stays intact during the transition, and I therefore do not expect a large difference for the two phases. The changes occur where the aliphatic chains interact. In a previous study,1 we determined the rotation barrier of the methyl group by means of molecular dynamics simulations for both phases. We found them to be identical, and to be in agreement with experimental values for DL-norvaline2 and DL-norleucine.3 We did not find any correlation between internal movement of the molecules and the onset of the transition.
- solid state NMR
- phase transition
- crystalline phases
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- 1 Key-note speaker and plenary lectures at conferences
Joop Ter Horst (Keynote/plenary speaker)31 Mar 2015
Activity: Participating in or organising an event types › Key-note speaker and plenary lectures at conferences