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.

Original languageEnglish
Article number106029
Number of pages7
JournalJournal of Chemical Thermodynamics
Volume144
Early online date14 Dec 2019
DOIs
StatePublished - May 2020

    Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)
  • Physical and Theoretical Chemistry

    Research areas

  • DFT, Entropy, Fullerenol, Gibbs energy, Isobaric heat capacity

ID: 62768201