A theoretical analysis of the interaction of the biologically active compound fullerene C60 with organic solvents 1-chloronaphthalene, chloroform and methanol was carried out. Quantum-mechanical calculations of the studied molecules in the free state and in the composition of 1: 1 complexes are performed. A correlation was established between the calculated energies of the intermolecular interactions of fullerene with solvent molecules and the solubility observed in the experiment.
fullerene C60, 1-chloronaphthalene, chloroform, methanol, complexation, intermolecular interaction energies, solubility
1. Bezmel'nicyn V.N, Eleckiy A.V., Okun' M.V. Fullereny v rastvorah. Uspehi fizicheskih nauk, 1998, t. 168, № 11, s. 1196-1220. @@[Bezmelnitsyn V.N., Eletskii A.V., Okun M.V. Fullerenes in solutions. Uspekhi fizicheskih nauk, 1998, vol. 168, no. 11, pp. 1196-1220. (In Russ.)]
2. Ruoff R.S., Tse D.S., Malhotra R., Lorents D.C. Solubility of fullerene C60 in a variety of solvents. J. Phys. Shem., 1993, vol. 97, no. 13, pp. 3379-3383.
3. Beck M.T., Mandi G. Solubility of C60. Fullerene Sci. Technol., 1997, vol. 5, no. 2, pp. 291-310.
4. Heymann D. Solubility of Fullerenes C60 and C70 in Seven Normal Alcohols and Their Deduced Solubility in Water. Fullerene Sci. Technol., 1996, vol. 4, no. 3, pp. 509-515.
