Theoretical enthalpy of formation of the acetonyl radical

2003 ◽  
Vol 373 (3-4) ◽  
pp. 350-356 ◽  
Author(s):  
Joaquı́n Espinosa-Garcı́a ◽  
Antonio Márquez ◽  
Sándor Dóbé
Author(s):  
V. M. Orlov ◽  
A. D. Misharev ◽  
V. V. Takhistov ◽  
I. I. Ryabinkin

1998 ◽  
Vol 95 (10) ◽  
pp. 2267-2279 ◽  
Author(s):  
R. Ouédraogo ◽  
T. S. Kabré ◽  
M. Gambino ◽  
J. P. Bros

2000 ◽  
Vol 6 (1) ◽  
pp. 53-64 ◽  
Author(s):  
V.V. Takhistov ◽  
I.N. Domnin ◽  
D.A. Ponomarev

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.


1984 ◽  
Vol 16 (7) ◽  
pp. 661-668 ◽  
Author(s):  
James Bickerton ◽  
Manuel E Minas da Piedade ◽  
Geoffrey Pilcher

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