Heat capacity and standard thermodynamic functions of the fullerenol C60(OH)24. (October 2020)

• Record Type: Journal Article
• Authors: Markin, Alexey V.; Samosudova, Yanina S.; Ogurtsov, Timofey G.; Smirnova, Natalia N.; Ageev, Sergei V.; Podolsky, Nikita E.; Petrov, Andrey V.; Murin, Igor V.; Semenov, Konstantin N.
• Is Part Of: Journal of chemical thermodynamics. Volume 149(2020)
• Publication Date: 2020-10
• Subjects: Fullerenol -- AC -- Heat capacity -- Standard thermodynamic functions -- DFT; Thermodynamics -- Periodicals; Thermochemistry -- Periodicals; Thermodynamique -- Périodiques; Thermochimie -- Périodiques; Thermochemistry; Thermodynamics; Periodicals; 541.369
• DOI: 10.1016/j.jct.2020.106192
• Languages: English
• ISSNs: 0021-9614

Abstract

Highlights: We report the thermodynamic properties for fullerenol C60 (OH)24 . The keto-enol tautomerism was discovered and its standard thermodynamic characteristics were calculated. Thermodynamic functions for the temperature range from T → 0 to 350 K of fullerenol C60 (OH)24 were calculated. Abstract: In the present investigation, the heat capacity of fullerenol C60 (OH)24 was measured by precision adiabatic and differential scanning calorimetry over the temperature range from T = (6 to 670) K . The keto-enol tautomerism was revealed in the temperature range T = (355–575) K and enthalpy of transition was determined. The standard thermodynamic functions: molar heat capacity C p °, enthalpy [ H °( T ) − H °(0)], entropy S °( T ), and Gibbs energy [ G °( T ) − H °(0)] of the fullerenol were determined over the temperature range from T = (6 to 350) K from the obtained experimental results. Also, DFT calculations of the heat capacities were performed. The standard thermodynamic properties of the investigated fullerenol were compared to other fullerene derivatives.