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

Результат исследований: Научные публикации в периодических изданияхстатьянаучнаярецензирование

Выдержка

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.

Язык оригиналаанглийский
Страницы (с-по)1480-1487
Число страниц8
ЖурналJournal of Chemical & Engineering Data
Том64
Номер выпуска4
DOI
СостояниеОпубликовано - 11 апр 2019

Отпечаток

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

Цитировать

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. В: Journal of Chemical & Engineering Data. 2019 ; Том 64, № 4. стр. 1480-1487.
@article{28e90dc22bac4055837ce0622392ac76,
title = "Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C 60 (OH) 40",
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",
author = "Podolsky, {Nikita E.} and Lelet, {Maxim I.} and Novikov, {Aleksey G.} and Ageev, {Sergei V.} and Petrov, {A. V.} and Mazur, {Anton S.} and Semenov, {Konstantin N.} and Charykov, {Nikolay A.} and Vasina, {Lubov V.} and Murin, {Igor V.}",
year = "2019",
month = "4",
day = "11",
doi = "10.1021/acs.jced.8b01075",
language = "English",
volume = "64",
pages = "1480--1487",
journal = "Journal of Chemical & Engineering Data",
issn = "0021-9568",
publisher = "American Chemical Society",
number = "4",

}

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.

В: Journal of Chemical & Engineering Data, Том 64, № 4, 11.04.2019, стр. 1480-1487.

Результат исследований: Научные публикации в периодических изданияхстатьянаучнаярецензирование

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.

KW - COMBUSTION

KW - DOXORUBICIN-INDUCED CARDIOTOXICITY

KW - ENTHALPIES

KW - HEAT-CAPACITY

KW - ISOTHERMAL KINETICS

KW - RADICAL SCAVENGING ACTIVITY

KW - RATS

KW - WATER SOLVENT

UR - http://www.mendeley.com/research/thermodynamic-properties-calorimetry-density-functional-theory-thermogravimetric-analysis-fullerene

UR - https://proxy.library.spbu.ru:2084/record/display.uri?eid=2-s2.0-85064344434&origin=resultslist&sort=plf-f&src=s&sid=361b2a9a4e5d3d4bb43199d4b163d145&sot=autdocs&sdt=autdocs&sl=17&s=AU-ID%289267398000%29&relpos=0&citeCnt=0&searchTerm=

U2 - 10.1021/acs.jced.8b01075

DO - 10.1021/acs.jced.8b01075

M3 - Article

VL - 64

SP - 1480

EP - 1487

JO - Journal of Chemical & Engineering Data

JF - Journal of Chemical & Engineering Data

SN - 0021-9568

IS - 4

ER -