Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C 60 (OH) 40

Nikita E. Podolsky, Maxim I. Lelet, Aleksey G. Novikov, Sergei V. Ageev, A. V. Petrov, Anton S. Mazur, Konstantin N. Semenov, Nikolay A. Charykov, Lubov V. Vasina, Igor V. Murin

Research output

Abstract

This paper presents experimental and simulated isobaric heat capacities of the C-60(OH)(40) fullerenol in the temperature range from T = 0 to 320 K along with the values of standard thermodynamic functions: S-m degrees [Phi(m)degrees(T) - Phi(m)degrees(0)], and [H-m degrees(T) - H-m degrees(0)]. Furthermore, the molar entropy of formation and the molar third law entropy of C-60(OH)(40) in the crystalline state at T = 298.15 K were calculated. The results of the simultaneous thermal analysis reveal that C-60(OH)(40) is stable up to 340 K, and further increase of temperature leads to the destruction of the fullerene derivative and the oxidation of the fullerene core.

Original languageEnglish
Pages (from-to)1480-1487
Number of pages8
JournalJournal of Chemical & Engineering Data
Volume64
Issue number4
DOIs
Publication statusPublished - 11 Apr 2019

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Fullerenes
Calorimetry
Density functional theory
Thermogravimetric analysis
Entropy
Thermodynamic properties
Derivatives
Thermoanalysis
Specific heat
Thermodynamics
Crystalline materials
Oxidation
Temperature
fullerenol

Cite this

Podolsky, Nikita E. ; Lelet, Maxim I. ; Novikov, Aleksey G. ; Ageev, Sergei V. ; Petrov, A. V. ; Mazur, Anton S. ; Semenov, Konstantin N. ; Charykov, Nikolay A. ; Vasina, Lubov V. ; Murin, Igor V. / Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C 60 (OH) 40. In: Journal of Chemical & Engineering Data. 2019 ; Vol. 64, No. 4. pp. 1480-1487.
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abstract = "This paper presents experimental and simulated isobaric heat capacities of the C-60(OH)(40) fullerenol in the temperature range from T = 0 to 320 K along with the values of standard thermodynamic functions: S-m degrees [Phi(m)degrees(T) - Phi(m)degrees(0)], and [H-m degrees(T) - H-m degrees(0)]. Furthermore, the molar entropy of formation and the molar third law entropy of C-60(OH)(40) in the crystalline state at T = 298.15 K were calculated. The results of the simultaneous thermal analysis reveal that C-60(OH)(40) is stable up to 340 K, and further increase of temperature leads to the destruction of the fullerene derivative and the oxidation of the fullerene core.",
keywords = "COMBUSTION, DOXORUBICIN-INDUCED CARDIOTOXICITY, ENTHALPIES, HEAT-CAPACITY, ISOTHERMAL KINETICS, RADICAL SCAVENGING ACTIVITY, RATS, WATER SOLVENT",
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Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C 60 (OH) 40. / Podolsky, Nikita E.; Lelet, Maxim I.; Novikov, Aleksey G.; Ageev, Sergei V.; Petrov, A. V.; Mazur, Anton S.; Semenov, Konstantin N.; Charykov, Nikolay A.; Vasina, Lubov V.; Murin, Igor V.

In: Journal of Chemical & Engineering Data, Vol. 64, No. 4, 11.04.2019, p. 1480-1487.

Research output

TY - JOUR

T1 - Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C 60 (OH) 40

AU - Podolsky, Nikita E.

AU - Lelet, Maxim I.

AU - Novikov, Aleksey G.

AU - Ageev, Sergei V.

AU - Petrov, A. V.

AU - Mazur, Anton S.

AU - Semenov, Konstantin N.

AU - Charykov, Nikolay A.

AU - Vasina, Lubov V.

AU - Murin, Igor V.

PY - 2019/4/11

Y1 - 2019/4/11

N2 - This paper presents experimental and simulated isobaric heat capacities of the C-60(OH)(40) fullerenol in the temperature range from T = 0 to 320 K along with the values of standard thermodynamic functions: S-m degrees [Phi(m)degrees(T) - Phi(m)degrees(0)], and [H-m degrees(T) - H-m degrees(0)]. Furthermore, the molar entropy of formation and the molar third law entropy of C-60(OH)(40) in the crystalline state at T = 298.15 K were calculated. The results of the simultaneous thermal analysis reveal that C-60(OH)(40) is stable up to 340 K, and further increase of temperature leads to the destruction of the fullerene derivative and the oxidation of the fullerene core.

AB - This paper presents experimental and simulated isobaric heat capacities of the C-60(OH)(40) fullerenol in the temperature range from T = 0 to 320 K along with the values of standard thermodynamic functions: S-m degrees [Phi(m)degrees(T) - Phi(m)degrees(0)], and [H-m degrees(T) - H-m degrees(0)]. Furthermore, the molar entropy of formation and the molar third law entropy of C-60(OH)(40) in the crystalline state at T = 298.15 K were calculated. The results of the simultaneous thermal analysis reveal that C-60(OH)(40) is stable up to 340 K, and further increase of temperature leads to the destruction of the fullerene derivative and the oxidation of the fullerene core.

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KW - DOXORUBICIN-INDUCED CARDIOTOXICITY

KW - ENTHALPIES

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KW - ISOTHERMAL KINETICS

KW - RADICAL SCAVENGING ACTIVITY

KW - RATS

KW - WATER SOLVENT

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JO - Journal of Chemical & Engineering Data

JF - Journal of Chemical & Engineering Data

SN - 0021-9568

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ER -