The paper presents experimental and DFT simulated data on temperature dependence of heat capacity for C60-L-arginine derivative. Smoothed Cp,m Tvalues in the temperature range from T → 0 K to 320 K are presented along with the values of standard thermodynamic functions: Sm °, [Hm T-Hm 0] and [Φm T-Φm 0]. In addition, the molar third law entropy and the molar formation entropy of the C60-L-arginine derivative in crystalline state at T = 298.15 K are calculated. The data on complex thermal analysis reveal that the C60-L-arginine derivative is stable up to 340 K. Further increasing of temperature leads to destruction of L-arginine groups and oxidation of fullerene core.

Original languageEnglish
Pages (from-to)39-44
Number of pages6
JournalJournal of Chemical Thermodynamics
Volume127
DOIs
StatePublished - Dec 2018

    Research areas

  • DFT, Enthalpy, Entropy, Fullerene, Gibbs function, Heat capacity, L-arginine

    Scopus subject areas

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

ID: 35260838