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Title: BEBO calculations. Part 4. - Arrhenius parameters and kinetic isotope effects for the reactions of CH3 and CF3 radicals with H2 and D2
Journal: J. Chem. Soc. Faraday Trans. 1
Volume: 71
Page(s):
Year: 1975
Reference type: Journal article
Squib: 1975ART/DON2431
Reaction:
·CF3 + D2 → CDF3 + D
Reaction order:
2
Temperature:
350 - 600
K
Rate expression:
4.07x10-13 [cm3/molecule s] e-37415 [J/mole]/RT
Category: Theory
Data type:
Bond energy-bond order (BEBO)
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 350 | 1.06E-18 |
| 375 | 2.50E-18 |
| 400 | 5.29E-18 |
| 425 | 1.03E-17 |
| 450 | 1.85E-17 |
| 475 | 3.13E-17 |
| 500 | 5.02E-17 |
| 525 | 7.71E-17 |
| 550 | 1.14E-16 |
| 575 | 1.62E-16 |
| 600 | 2.25E-16 |