Abstract
Because of the importance of the solubility of buckminsterfullerene, C60, as the most well-known carbon nanomaterial, a multiparameter linear model is proposed for C60 solubility in different solvents using solvent empirical parameters. The obtained model covers more than 81 and 87 % of the variance in the training and test sets, respectively. On the other hand, because of the potential of solvent empirical parameters for probing different aspects of the solvent–solute interactions, some information about the solubility of C60 in solution phase was obtained. The results showed that hydrogen bond donation ability, basicity scale and dispersion interactions were some of the effective parameters for correlating the solubility of C60 in various solvents.
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