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Molecular fragmentation on collision with protons for freon and propane molecules
- 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.
- Subjects :
- Freon
Proton
Solid-state physics
Chemistry
Ion
Inorganic Chemistry
chemistry.chemical_compound
Fragmentation (mass spectrometry)
Ab initio quantum chemistry methods
Propane
Materials Chemistry
Physical chemistry
Molecule
Physics::Chemical Physics
Physical and Theoretical Chemistry
Atomic physics
Nuclear Experiment
Subjects
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