Rate constant for the reaction CH3CO•+ HBr and the enthalpy of formation of the CH3CO•radical

2005 ◽  
Vol 86 (2) ◽  
pp. 355-361 ◽  
Author(s):  
Gergely Kovács ◽  
Ákos Bencsura ◽  
Sándor Dóbé ◽  
Tibor Bérces ◽  
Ferenc Márta
Keyword(s):  
Enthalpy Of Formation ◽  
Rate Constant ◽  
The Enthalpy Of Formation

scholarly journals Direct measurements of the total rate constant of the reaction NCN + H and implications for the product branching ratio and the enthalpy of formation of NCN

2014 ◽  
Vol 16 (23) ◽  
pp. 11647-11657 ◽  
Author(s):  
Nancy Faßheber ◽  
Johannes Dammeier ◽  
Gernot Friedrichs
Keyword(s):  
High Temperature ◽  
Enthalpy Of Formation ◽  
Rate Constant ◽  
Branching Ratio ◽  
Total Rate ◽  
Direct Measurements ◽  
Temperature Rate ◽  
First Time ◽  
Product Branching ◽  
The Enthalpy Of Formation

The high-temperature rate constant of the reaction NCN + H, a key reaction for modelling NOx formation in flames, has been directly measured for the first time.

A Kinetic Study of the Reaction between the 2-Ċ3H7 Radical and i-C4H8: Enthalpy of Formation of the (CH3)2CHCH2Ċ(CH3)2 Radical

2004 ◽  
Vol 218 (4) ◽  
pp. 469-478
Author(s):  
László Seres ◽  
Martin Dinse ◽  
Miklós Görgényi
Keyword(s):  
Thermal Decomposition ◽  
Kinetic Study ◽  
Enthalpy Of Formation ◽  
Rate Constant ◽  
Addition Reaction ◽  
Product Analysis ◽  
Temperature Range ◽  
Reversible Addition ◽  
First Time ◽  
The Enthalpy Of Formation

AbstractThe reversible addition reaction2-Ċ3H7 + i-C4H8 ⇔ (CH3)2CHCH2Ċ(CH3)2was studied in the temperature range 491–543K by product analysis in experiments in which 2-Ċ3H7 radicals were generated by the thermal decomposition of azoisopropane. The enthalpy of formation of the radical (CH3)2CHCH2Ċ(CH3)2 was determined, the value obtained being ΔfH° = -21.8 ± 5.2kJ mol-1. From this result, the following group value was deduced: ΔfH°[Ċ–(C)3] = 177.1kJ mol-1. From the latter, ΔfH°(t-Ċ4H9) = 51.6kJ mol-1 was estimated. The rate constant of self-combination of the radical (CH3)2CHCH2Ċ(CH3)2 was determined for the first time: log(k12/(dm3mol-1s-1)) = 7.3.

Thermochemistry of Organic and Heteroorganic Species. Part IX. Photoionization Studies of Isomerization and Fragmentation of Polysubstituted Cyclopropenes: Phenyl-Substituted Cyclopropenes

2000 ◽  
Vol 6 (1) ◽  
pp. 53-64 ◽  
Author(s):  
V.V. Takhistov ◽  
I.N. Domnin ◽  
D.A. Ponomarev
Keyword(s):  
Mass Spectrometry ◽  
Enthalpy Of Formation ◽  
Good Alternative ◽  
Enthalpies Of Formation ◽  
Isodesmic Reactions ◽  
Ion Structure ◽  
Photoionization Mass Spectrometry ◽  
General Methodology ◽  
Fragment Ions ◽  
The Enthalpy Of Formation

Ionization and appearance energies of some fragment ions from 1,2,3-trimethy1-3-phenyl-, 3-methyl-1,2,3-triphenyl-, 1,2-diphenyl-3-methoxycarbonyl-, 1,2,3-triphenyl-3-methoxycarbonyl- and 1,3,3-triphenyl-2-methoxycarbonyl-cyclopropenes were measured by photoionization mass spectrometry. It was shown that in none of these compounds did the fragment ions possess the expected stable substituted cyclopropenium ion structure. Accordingly, possible schemes of molecular ion isomerization are given. The enthalpies of formation of nearly 50 substituted cyclopropenium ions, and ions of related structure, were estimated using series of isodesmic reactions. This publication, together with the previous works of the authors in this Journal, demonstrates the general methodology for estimation of the enthalpy of formation for even-electron ions. It is suggested that the present methodology can provide a good alternative to other estimation or computation procedures applied to the thermochemistry of ions.

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