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Chemical Sciences Division

Applied Chemicals and Materials Division

Author(s):   Cometto, P.M.; Teruel, M.A.; Taccone, R.A.; Lane, S.I.
Title:   Absolute determinations of the addition rate constants for the reactions of O(3P) atoms with halogenated propenes and butenes. A structure-activity relationship for the estimation of rate constants
Journal:   J. Phys. Org. Chem.
Volume:   18
Page(s):   142 - 147
Year:   2005
Reference type:   Journal article
Squib:   2005COM/TER142-147

Reaction:   O(3P) + C2HCl3 → Products
Reaction order:   2
Temperature:   298 K
Rate expression:   1.2x10-13 [cm3/molecule s]
Category:  Theory
Data type:   Estimated: thermochemical, kinetic, or other
Comments:   Theoretical rate coefficient estimated using structure–activity relationships (SAR) for O(3P) atom addition to alkenes based on the approach developed by Atkinson (Atkinson R., Chem. Rev. 1986; 86: 69–201.) for OH radical reactions.

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