Proton relaxation NMR study of polycrystalline progesterone

Polycrystalline progesterone (4-pregnene-3,20-dione, C21H30O2) has been investigated by proton NMR methods between 80 and 350 K. A reduction in dipolar second moment is ascribed to methyl group reorientation. Minima in the spin-lattice relaxation time found in measurements at five frequencies from 7 to 200 MHz are attributed to reorientation of two of the three methyl groups in each molecule, characterized by activation energy E-a = 10.9 +/- 0.8 kJ/mol and tau(0) = (2.3 +/- 0.2) x 10(-13) s. Additional relaxation at lower temperatures is attributed to reorientation of the third methyl group with E-a approximately 3.4 kJ/mol. Measurements were also made of relaxation in the rotating frame.