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Title: Direct C-C Bond Breaking in the Reaction of O(3P) with Flouropolymers in Low Earth Orbit
Journal: J. Phys. Chem. A
Volume: 106
Page(s): 5463 - 5467
Year: 2002
Reference type: Journal article
Squib: 2002GIN/MAS5463-5467
Reaction:
O(3P) + C2F6 → ·CF3 + CF3O
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Barrier height only calculated
Comments:
No elementary rate data are reported. Ab initio calculations are used to predict activation energies for chain breaking reactions of O(3P) attack on a series of perfluorinated alkanes. Calculated activation energies are in the range of 67 - 99 kcal/mol and follow the order C2F6 > C3F8 > C5F12. Density functional theory gives significantly lower activation energies than Hartree-Fock methods.
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