CORRELATIONS BETWEEN RATE PARAMETERS AND CALCULATED MOLECULAR-PROPERTIES IN THE REACTIONS OF THE HYDROXYL RADICAL WITH HYDROFLUOROCARBONS

Authors
PERCIVAL CJ MARSTON G WAYNE RP
Citation
Cj. Percival et al., CORRELATIONS BETWEEN RATE PARAMETERS AND CALCULATED MOLECULAR-PROPERTIES IN THE REACTIONS OF THE HYDROXYL RADICAL WITH HYDROFLUOROCARBONS, Atmospheric environment, 29(3), 1995, pp. 305-311
Citations number
26
Journal title
Atmospheric environment → ACNP
ISSN journal
13522310
Volume
29
Issue
3
Year of publication
1995
Pages
305 - 311
Database
ISI
SICI code
1352-2310(1995)29:3<305:CBRPAC>2.0.ZU;2-K
Abstract
A study of the reactivity of the hydroxyl radical towards a series of hydrocarbons and fluorinated hydrocarbons has been carried out. The ac tivation energy (E(a)), the logarithm of the pre-exponential A factor, and the logarithm of the room temperature rate coefficient (k) all co rrelate strongly with the calculated ionization potential (IP) of the organic reactant. Using, these correlations, the accuracy of the exper imental database of reaction-rate parameters is examined, and predicti ons are made of rate parameters for related reactions that have not, a s yet, been measured.