The standard enthalpy of formation of buckminsterfullerene (C60) in the crystalline state has been determined as 2278.1 ± 14.4 kJ mol–1 using a microcombustion calorimeter. Statistical mechanical calculations of the heat capacity of gaseous C60 as a function of the temperature and a critical survey of the literature data for the enthalpy of sublimation, the heat capacity in the crystalline state, the first, second and third ionization energies and the electron affinity of C60, enabled the enthalpy of formation of gaseous C60 and the enthalpies of formation of the ions C60+, C602+, C603+ and C60– to be derived.
The thermosalient effect is still a rare and poorly understood phenomenon, where crystals suddenly jump, bend, twist or explode upon undergoing a thermally activated phase transition. The synthesis and characterisation of the new spin transition Fe(III) compound [Fe(5-Br-salEen)2][ClO4] (salEen = N-ethyl-N-(2-aminoethyl)salicylaldiminate) is described and its thermosalient behaviour reported. It is the first example of a thermosalient effect with a spin transition and magnetic, calorimetric, diffraction, microscopy and computational studies are used to characterise these effects. Both thermosalient effect and spin transition occur around 320 K upon heating and are accompanied by an anisotropic unit cell change with conservation of crystal symmetry that causes a large enough stress of the crystal lattice to induce crystal explosion. This stress can ultimately be traced back to a diffusionless and distortive structural perturbation resulting in a coupled spin transition-thermosalient effect.
1 December 2006 in The Journal of Chemical Thermodynamics