Formation and stability of molybdenum-tellurium oxides MoTeO5, Mo2TeO8, Mo3TeO11 and MoTe2O7 in the gas phase. Quantum chemical and mass spectrometry determination of standard enthalpy of formation

2012 ◽  
Vol 41 (8) ◽  
pp. 2464 ◽  
Author(s):  
E. Berezovskaya ◽  
E. Milke ◽  
M. Binnewies
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Enthalpy Of Formation ◽  
Standard Enthalpy ◽  
Quantum Chemical ◽  
Standard Enthalpy Of Formation

scholarly journals Thermodynamic functions of ibuprofen

2021 ◽  
Vol 2052 (1) ◽  
pp. 012046
Author(s):  
V V Turovtsev ◽  
V N Emel’yanenko ◽  
Yu A Fedina ◽  
Yu D Orlov
Keyword(s):  
Conformational Analysis ◽  
Gas Phase ◽  
Enthalpy Of Formation ◽  
Thermodynamic Functions ◽  
Standard Enthalpy ◽  
Quantum Chemical ◽  
Significant Contribution ◽  
Standard Enthalpy Of Formation ◽  
Empirical Estimates ◽  
Temperature Dependences

Abstract A conformational analysis has been conducted, structures that make a significant contribution to properties are selected, and the partial thermodynamic functions of ibuprofen conformers are calculated. The temperature dependences of molar fractions and entropy of mixing are obtained. Quantum-chemical and empirical estimates of the standard enthalpy of formation are produced. The thermodynamic functions of ibuprofen in the gas phase are determined.

scholarly journals Standard enthalpy of formation of selenium stannite Cu2FeSnSe4

2019 ◽  
Vol 64 (10) ◽  
pp. 1105-1108
Author(s):  
A. V. Baranov ◽  
T. A. Stolyarova ◽  
E. A. Brichkina ◽  
E. G. Osadchii
Keyword(s):  
Solar Cells ◽  
Enthalpy Of Formation ◽  
Standard Enthalpy ◽  
Pure Form ◽  
Standard Enthalpy Of Formation ◽  
Functional Material ◽  
First Time ◽  
Calorimetric Determination

The calorimetric determination of the standard enthalpy of formation of Cu2FeSnSe4 selenium stannite (CITSe) was carried out for the first time. This compound in its pure form does not occur in nature, but is a promising functional material (direct-gap semiconductor) and is used in photovoltaics to create solar cells as an alternative to silicon. The standard enthalpy of Cu2FeSnSe4 formation was obtained by measuring the heat of its formation from the elements in the calorimeter according to the reaction 2Cu + Fe + Sn + 4Se Cu2FeSnSe4. As a result, the standard enthalpy of formation is detrmined: ∆fH0298.15K(Cu2FeSnSe4) = (254.11 3.96) kJ/mol.

Group Additive Values for the Gas Phase Standard Enthalpy of Formation of Hydrocarbons and Hydrocarbon Radicals

2005 ◽  
Vol 109 (33) ◽  
pp. 7466-7480 ◽  
Author(s):  
Maarten K. Sabbe ◽  
Mark Saeys ◽  
Marie-Françoise Reyniers ◽  
Guy B. Marin ◽  
Veronique Van Speybroeck ◽  
...  
Keyword(s):  
Gas Phase ◽  
Enthalpy Of Formation ◽  
Standard Enthalpy ◽  
Standard Enthalpy Of Formation ◽  
Hydrocarbon Radicals

Bestimmung der Bildungsenthalpie von Nitroxychlorid (Chlornitrat, NO3Cl) als Beitrag zur Deutung der Kinetik des thermischen NO3Cl-Zerfalls in der Gasphase und in der Lösungsphase / Determination of the Enthalpy of Formation of nitroxy Chloride (Chlorine Nitrate, NO3Cl). A Contribution to the Interpretation of the Kinetics of the Thermal Decomposition of NO3Cl in the Gas Phase and in Solution

1974 ◽  
Vol 29 (2) ◽  
pp. 200-210 ◽  
Author(s):  
H.-D. Knauth ◽  
H. Martin ◽  
W. Stockmann
Keyword(s):  
Thermal Decomposition ◽  
Gas Phase ◽  
Enthalpy Of Formation ◽  
Standard Enthalpy Of Formation ◽  
Phase Reaction ◽  
Chlorine Nitrate ◽  
Chain Reactions ◽  
Gas Phase Reaction ◽  
Inert Solvent

The dissociation energy values ⊿H0298(ClO- NO2) = 25.87 kcal mol-1 and ⊿H00(ClO-NO2),0 = 24.8 kcal mol-1 were derived from the standard enthalpy of formation of nitroxy chloride (NO3CI) ⊿Hf0 = 6.28 kcalmol-1 which has been determined from the reaction enthalpy of the gas phase reaction NOCI + NO3CI = 2 NO2 + Cl2. With the help of these data it was possible to show that in the thermal decomposition of NO3Cl, for which the overall reaction is NO3Cl = NO2 +½O2 + ½Cl2. at temperatures around 100 °C the equilibrium NO3Cl ⇄ NO2 + OCl is established. At the beginning of the reaction, there exists such a high OCl concentration that the decomposition occurs practically exclusively by the reactions OCl + OCl + M ⇄Cl2O2 + M, Cl2O2 + M → Cl2 + O2+M and OCl + OCl → Cl + OOCl, the last of which is followed by Cl-consuming reaction steps, e.g. CI + NO3CI → NO3 + Cl2, apparently initiating chain reactions. The reaction step NO2 + NO3Cl → NO3 + NO2Cl, postulated from an investigation of the kinetics in a nono-polar inert solvent, and its daughter reactions probably occur for the gas phase reaction as well.

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