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.