Thermodynamics of tetraphenylantimony benzoate Ph4SbOC(O)Ph

Lyakaev, D. V.; Маркин, А. В.; Смирнова, Н. Н.; Шарутин, В. В.; Шарутина, О. К.

doi:10.1016/j.jct.2018.11.011

Cited by 7 publications

(2 citation statements)

References 31 publications

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“…Paraffin wax was used as an auxiliary compound; it ensured necessary temperature increase on the one hand, and on the other hand, it created favorable conditions for total oxidation of initial products. Some other details on the construction of the calorimeter and the experimental procedures are given in ref .…”

Section: Experimental Methodsmentioning

confidence: 99%

Benzo[a]pyrene: Standard Thermodynamic Properties from Adiabatic and Combustion Calorimetry and Density Functional Theory

et al. 2021

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The temperature dependence of heat capacity of polycyclic aromatic hydrocarbon, benzo[a]pyrene, was investigated in the temperature range T = 7.5−329.3 K using adiabatic calorimetry. Smoothed C p,m °(T) values between 0 and 329 K are presented along with values for the standard thermodynamic functions:pyrene has been determined using the isothermal combustion calorimeter with a stationary bomb. These new experimental results, together with literature data, are used to calculate the standard enthalpy of formation, Δ f H m °, and standard Gibbs free energy of formation, Δ f G m °, giving Δ f H m °(T = 298.15 K, benzo[a]pyrene, cr) = 162.4 ± 15.5 kJ•mol −1 and Δ f G m °(T = 298.15 K, benzo[a]pyrene, cr) = 347.0 ± 15.7 kJ•mol −1 . Additionally, the quantum chemistry approach was used in order to calculate the electronic structure and thermodynamic properties for benzo[a]pyrene.

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Section: Experimental Methodsmentioning

confidence: 99%

Benzo[a]pyrene: Standard Thermodynamic Properties from Adiabatic and Combustion Calorimetry and Density Functional Theory

et al. 2021

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“…It is necessary for optimal temperature rising, and it makes the total oxidation of initial products affordable. The details on the construction of the calorimeter and the experimental procedures are given in ref 52.…”

Section: Experimental Methodsmentioning

confidence: 99%

Thermodynamic Properties from Adiabatic and Combustion Calorimetry of Two Polycyclic Aromatic Hydrocarbons, Benz[a]anthracene and Chrysene

et al. 2021

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The temperature dependences of the heat capacity of two crystalline polycyclic aromatic hydrocarbons, benz[a]anthracene and chrysene, were investigated using adiabatic calorimetry in the temperature ranges T = 5.5–326.4 and 5.7–328.1 K, respectively. Smoothed heat capacity, C p, m o(T), values between 0 and 320 K are presented, along with values for the standard thermodynamic functions: the enthalpy, H m o(T) – H m o(0), the entropy, S m o(T), and the Gibbs free energy, G m o(T) – H m o(0). Using the heat capacity, C p, m o(T), data, the standard molar third-law entropies at T = 298.15 K, S m o, are calculated to be 272.1 ± 1.6 J·K–1·mol–1 for benz[a]anthracene and 274.1 ± 1.7 J·K–1·mol–1 for chrysene. The standard enthalpies of combustion, Δc H m o, for benz[a]anthracene and chrysene have been determined using an isothermal combustion calorimeter with a stationary bomb. These new experimental results, together with literature data, are used to calculate the enthalpies of formation, Δf H m o, and Gibbs free energies of formation, Δf G m o, giving Δf H m o(298.15 K, benz[a]anthracene, cr) = 143.3 ± 22.3 kJ · mol–1 and Δf G m o(298.15 K, benz[a]anthracene, cr) = 326.8 ± 22.4 kJ · mol–1 for benz[a]anthracene and Δf H m o(298.15 K, chrysene, cr) = 110.7 ± 13.0 kJ · mol–1 and Δf G m o(298.15 K, chrysene, cr) = 293.6 ± 13.2 kJ · mol–1 for chrysene.

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