Crystalline C60·2CHBr3 solvate: A solid-state study

Abstract

Powder X-ray diffraction (PXRD), molecular modelling, thermogravimetric analysis and solid-state nuclear magnetic resonance were used to examine crystalline C₆₀·2CHBr₃ solvate. PXRD reveals a hexagonal crystal structure with an alternating layer arrangement, in which the bromoform molecules reside in the interstices formed by an AAA packing sequence of C₆₀ layers. The presence of bromoform does not appear to hinder the motion of the fullerene cages, as ¹³C NMR linewidths are comparable with those for pure oxygen-free face-centred cubic (fcc) C₆₀.