Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Heat capacity and standard thermodynamic functions of the fullerenol C60(OH)24. / 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.
в: Journal of Chemical Thermodynamics, Том 149, 106192, 10.2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
}
TY - JOUR
T1 - Heat capacity and standard thermodynamic functions of the fullerenol C60(OH)24
AU - Markin, Alexey V.
AU - Samosudova, Yanina S.
AU - Ogurtsov, Timofey G.
AU - Smirnova, Natalia N.
AU - Ageev, Sergei V.
AU - Podolsky, Nikita E.
AU - Petrov, Andrey V.
AU - Murin, Igor V.
AU - Semenov, Konstantin N.
N1 - Funding Information: This work was financially supported by the Russian Foundation for Basic Research (Project No. 18-03-01090 ) and the Ministry of Science and Higher Education of the Russian Federation . Research was performed using the equipment of the Centre for Diagnostics of Functional Materials for Medicine, Pharmacology and Nanoelectronics, Chemical Analysis and Materials Research Centre, and Computing Centre of the Research park of Saint Petersburg State University. The authors are grateful to the partner Research & Production Company “Modern Synthesis Technology” (www.mstnano.com) for participation in conducting of experiments and for provided samples of the fullerene. Publisher Copyright: © 2020 Elsevier Ltd Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/10
Y1 - 2020/10
N2 - 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 Cp°, 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.
AB - 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 Cp°, 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.
KW - AC
KW - DFT
KW - Fullerenol
KW - Heat capacity
KW - Standard thermodynamic functions
UR - http://www.scopus.com/inward/record.url?scp=85085749256&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/1e16c826-03d5-3ce3-8faa-0d7a484b1141/
U2 - 10.1016/j.jct.2020.106192
DO - 10.1016/j.jct.2020.106192
M3 - Article
AN - SCOPUS:85085749256
VL - 149
JO - Journal of Chemical Thermodynamics
JF - Journal of Chemical Thermodynamics
SN - 0021-9614
M1 - 106192
ER -
ID: 70794817