Theoretical study of the electron attachment dissociation of methyl halides and freon molecules: CF3Cl, CF2Cl2, CFCl3

Citation
N. Komiha et al., Theoretical study of the electron attachment dissociation of methyl halides and freon molecules: CF3Cl, CF2Cl2, CFCl3, J FLUORINE, 108(2), 2001, pp. 177-186
Citations number
27
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
JOURNAL OF FLUORINE CHEMISTRY
ISSN journal
00221139 → ACNP
Volume
108
Issue
2
Year of publication
2001
Pages
177 - 186
Database
ISI
SICI code
0022-1139(200105)108:2<177:TSOTEA>2.0.ZU;2-1
Abstract
A possible electron attachment dissociation process to destroy chlorofluoro carbons (CFCs) at low altitude is proposed. To study this we have used, in this paper, Wu model where the dissociation energy is obtained from the pot ential curves of the neutral and anionic molecules to investigate this poss ibility. The potential curves are calculated by quantum chemical methods. T hese dissociation energies have been determined for methyl halides for CHCl 3, CH2Cl2 and CH3Cl and for CFCl3, CF2Cl2 and CF3Cl molecules. It appears t hat molecules, in this series, with most fluorine atoms have the highest di ssociation energy. (C) 2001 Elsevier Science B.V. All rights reserved.