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Author(s):   Li, S.P.;Fan, W.Y.
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