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Molecular fragmentation on collision with protons for freon and propane molecules

Authors :
A. V. Tulub
K. V. Simon
Source :
Journal of Structural Chemistry. 48:S79-S93
Publication Year :
2007
Publisher :
Springer Science and Business Media LLC, 2007.

Abstract

In ab initio calculations, we determined the most probable routes of decomposition of the [CF3Cl]+, [CF2Cl2]+, [CFCl3]+, [CCl4]+ molecular ions of freons and [C3H8]+ ions of hydrocarbons formed by collision of neutral molecules with protons with energies of the order of 10 keV. The calculated potential surface sections are compared on a qualitative level with the probability of various ion fragments in experiments on fragmentation. The role of the charge transfer dynamics between the proton and the molecule is discussed.

Details

ISSN :
15738779 and 00224766
Volume :
48
Database :
OpenAIRE
Journal :
Journal of Structural Chemistry
Accession number :
edsair.doi...........17ae0d4fcddcfb4f152aa77ab84fae86
Full Text :
https://doi.org/10.1007/s10947-007-0151-4