Structure, vibrational, and calorical properties of fullerene C-60 in toluene solution

The structure, vibrational and calorical properties of fullerene C-60 in to luene solution were investigated both experimentally and theoretically in d etail. The aggregation kinetics results indicated that the structure of C-6 0 aggregates in toluene could be described as a fractal system. The electro nic absorption spectra of C-60 toluene solution with different concentratio n testify to the molecular character of absorption. The vibrational spectru m of smallest stable spherical cluster formed from the 13 single fullerene C-60 molecules in toluene solution was calculated using the molecular dynam ics approach and compared with Raman spectroscopy data. The numerical value s of thermodynamical coefficients alpha (P), beta (T), beta (S) c(P), c(V) and sound velocity were determined from the (P-rho -T) data measured for C- 60 toluene solution.