Rotational tunnelling and molecular disorder of 4-iodo-toluene

摘要: Abstract High resolution neutron spectroscopy is used to study head-to-tail disorder in 4-iodo-toluene via methyl tunnelling rotation. The observed three bands represent different nearest neighbourhoods. Their relative intensities are explained on the basis of ∼10% misoriented molecules and a repulsive methyl–methyl interaction which disorder. shape broad can be described by Gaussian potential distributions characteristic at larger distances. This model yields an average strength its width for each band. refined second order including librational modes extracted from density states. Dissolution isomorphous host 1,4-diiodo-benzene modifies rotational only weakly. Spectral intermediate concentration consistent with miscibility gap.