The temperature dependence of C-H⋯F-C interactions in benzene:hexafluorobenzene

Abstract

The evolution of the structure of the four solid phases of the prototype binary-adduct C6H6:C6F6 as a function of temperature has been investigated using X-ray and neutron diffraction. An explanation is proposed concerning changes in the arrangements of the molecules at each of the three phase transitions and the dynamics in C6H6:C6F6 are briefly compared with those of the adduct formed between mesitylene and C6F6. The observations are rationalised using simple models of intermolecular electrostatics.