Use of rotary echoes in H-2 magic-angle spinning NMR for the quantitative study of molecular dynamics

作者：Hogg Naomi H M; Boulton Paul J T; Zorin Vadim E; Harris Robin K; Hodgkinson Paul^*

来源：Chemical Physics Letters, 2009, 475(1-3): 58-63.

DOI：10.1016/j.cplett.2009.05.031

The interaction of sample spinning and chemical dynamics is analysed in the context of H-2 magic-angle spinning NMR. We develop previous analyses and show that a metric based on the intensity of rotational echoes allows kinetic information to be derived without the need for full modelling of the NMR response. This approach is illustrated on the conformational exchange of 1,4-dioxane included in the channel solvate hydrate formed with finasteride. An activation barrier in excellent agreement with previous experimental and theoretical estimates is obtained, without the need for modelling which would be very challenging due to the anisotropic tumbling of the solvent molecules.

• 出版日期2009-6-16