The paper is devoted to thermodynamic investigation of polyhydroxylated fullerene C70(OH)12. The measurement of fullerenol’s isobaric heat capacity in the temperature range T = 9.2 K–304.5 K was performed, as well as the standard thermodynamic functions: Sm°, [Hm°(T) − Hm°(0)] and [Фm°(T) − Фm°(0)] were calculated. Additionally, the complex thermal analysis was conducted for investigation of thermal properties of C70(OH)12. The quantum chemistry approach was used in order to calculate the electronic structure, thermodynamic properties, and NMR spectra for C70(OH)12 isomers.
- Isobaric heat capacity
- Gibbs energy