Scalar relaxation of the second kind: a potential source of information on the dynamics of molecular movements. 1. Investigation of solution reorientation of N-methylpyridone and 1,3-dimethyluracil using measurements of longitudinal relaxation rates in the rotating frame.

The practical utility of the method of retrieving the relaxation rate of a quadrupole nucleus via the scalar relaxation of the second kind (SC2) of an I = 1/2 spin nucleus has been considered once again. The study was motivated by the fact that such data are frequently very useful in investigations of reorientational movements of molecules in solutions. At the same time, the parameters describing spin-spin and quadrupolar couplings, necessary in such studies, have become relatively easily accessible owing to a remarkable progress in theoretical methods. It was shown that even in the case of small N-C coupling constants ((1)J = 7-8 Hz) the classical method of approaching SC2 relaxation effects by measurements of the longitudinal relaxation rates in the rotating frame, although somewhat tedious, can yield acceptably accurate results. The whole procedure has been successfully applied in the investigation of molecular movements of N-methylpyridone (1) and 1,3-dimethyluracil (2) in acetone solution.

Citation

Adam Gryff-Keller, Dominika Kubica. Scalar relaxation of the second kind: a potential source of information on the dynamics of molecular movements. 1. Investigation of solution reorientation of N-methylpyridone and 1,3-dimethyluracil using measurements of longitudinal relaxation rates in the rotating frame. The journal of physical chemistry. A. 2012 Oct 4;116(39):9632-8

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PMID: 22971246

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