Evaluation of the Enthalpy of Formation, Proton Affinity, and Gas-Phase Basicity of γ-Butyrolactone and 2-Pyrrolidinone by Isodesmic Reactions

2008 ◽  
Vol 112 (17) ◽  
pp. 4060-4066 ◽  
Author(s):  
Ricardo Vessecchi ◽  
Sérgio E. Galembeck
Keyword(s):  
Gas Phase ◽  
Proton Affinity ◽  
Enthalpy Of Formation ◽  
Isodesmic Reactions ◽  
The Enthalpy Of Formation

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.

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

2002 ◽  
Vol 106 (11) ◽  
pp. 2727-2747 ◽  
Author(s):  
Branko Ruscic ◽  
Albert F. Wagner ◽  
Lawrence B. Harding ◽  
Robert L. Asher ◽  
David Feller ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Gas Phase ◽  
Enthalpy Of Formation ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
The Enthalpy Of Formation
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