Fullerenes, endohedral fullerenes, and the prediction of high boiling points

Abstract

Extrapolation of the experimental vapor–pressure curves of the [60], [70], [76] and [84] fullerenes gives normal, estimated boiling or sublimation temperatures such that half of the boiling points predicted by an earlier semi-empirical theory, based primarily on the total molar refraction for all exposed atoms, of essentially all vaporizable non-metals, organic and inorganic, having limited polarities, differ from these estimated values by less than the calculated uncertainties. These data suggest that the theory is applicable up to ca. 1900 K, even though the original proposal made verified claims up to less than 900 K. This leads to: T_b,est([n]fullerene) ≈ T_b,pred([n]fullerene), supporting the claim that we can predict many boiling points over a wide range of temperatures. Here we also extend the predictions to include endohedral fullerenes.