Abstract
Combining optical, neutron scattering and specific heat measurements, a precise determination of the parameters for the internal rotation potential energy function of the partially deuterated methyl group CHD2 and CH2D is obtained in crystallized nitromethane. The effects of other internal motions on the internal rotation are analyzed and compared to the corresponding results for similar molecules in condensed and gas phases. The origin of the difference in the zero point energy of the symmetrical and asymmetrical rotamers of the partially deuterated derivatives is discussed.
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