Cross relaxation in liquid methanol

The cross relaxation due to intermolecular dipolar interactions between methyl groups in methanol was determined and compared to the value calculated from MD simulations of the experimental sample. [Display omitted] ► Methyl group cross relaxation rate measured in liquid methanol. ► Methyl group cross relaxation calculated from MD simulations of liquid methanol. ► Experimental and computed cross relaxation rates agree. The cross relaxation rate for intermolecular dipole–dipole interactions between methyl protons in liquid methanol at 0 °C was measured and compared to the rate predicted from MD simulations of the experimental system. The experimental and calculated values agree well, even though the translational diffusion coefficient and bulk viscosity of the sample are not well-predicted by the simulations.