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

摘要

The structure, vibrational and calorical properties of fullerene C-60 in toluene solution were investigated both experimentally and theoretically in detail. The aggregation kinetics results indicated that the structure of C-60 aggregates in toluene could be described as a fractal system. The electronic absorption spectra of C-60 toluene solution with different concentration testify to the molecular character of absorption. The vibrational spectrum of smallest stable spherical cluster formed from the 13 single fullerene C-60 molecules in toluene solution was calculated using the molecular dynamics approach and compared with Raman spectroscopy data. The numerical values 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. [References: 16]