MASS-SPECTROMETRIC STUDY ON ION-MOLECULE REACTIONS OF CF3-THERMAL ENERGIES( WITH PHX (X=F, CL, BR, I) AT NEAR)

Authors
TSUJI M AIZAWA M ODA E NISHIMURA Y
Citation
M. Tsuji et al., MASS-SPECTROMETRIC STUDY ON ION-MOLECULE REACTIONS OF CF3-THERMAL ENERGIES( WITH PHX (X=F, CL, BR, I) AT NEAR), Bulletin of the Chemical Society of Japan, 70(5), 1997, pp. 1179-1183
Citations number
14
Categorie Soggetti
Chemistry
Journal title
Bulletin of the Chemical Society of Japan → ACNP
ISSN journal
00092673
Volume
70
Issue
5
Year of publication
1997
Pages
1179 - 1183
Database
ISI
SICI code
0009-2673(1997)70:5<1179:MSOIRO>2.0.ZU;2-3
Abstract
The branching ratios of product ions for the reactions of CF3+ with Ph X (X = F, Cl, Br, I) have been determined by using an ion-beam apparat us. The main reaction channels are electrophilic addition to a benzene ring, followed by HF and HX elimination, and X- abstraction reaction leading to phenyl cation. Charge transfer reaction leading to the pare nt cation was found only fbr PhI with the lowest ionization potential. Semi-empirical MNDO calculations of heats of formation of various int ermediates and products were carried out to explore possible reaction mechanisms.