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Title: FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical
Journal: Chem. Phys. Lett.
Volume: 427
Page(s): 276 - 280
Year: 2006
Reference type: Journal article
Squib: 2006LI/FAN276-280
Reaction:
(C2H5)3N + (CH3)3CO· → Products + tert-C4H9OH
Reaction order:
2
Reference reaction:
(CH3)3CO· → Acetone + ·CH3
Reference reaction order:
1
Temperature:
297 - 318
K
Pressure: 0.13 - 1.01 bar
Rate expression:
8.3x10-14 [cm3/molecule] e-2780 [±600 J/mole]/RT
Category: Experiment
Data type:
Relative value normalized by a reference value
Pressure dependence:
Rate constant is pressure independent
Experimental procedure:
Static or low flow - Data taken vs time
Excitation technique:
Direct photolysis
Time resolution:
By end product analysis
Analytical technique:
Fourier transform (FTIR)
Comments:
The uncertainty in log(A) is 0.2. The potential energy surface of the reaction was studied using quantum chemistry.
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Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule] |
|---|---|
| 297 | 2.69E-14 |
| 300 | 2.72E-14 |
| 318 | 2.90E-14 |