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Author(s):   Yamamoto, O.; Takahashi, K.; Inomata, T.
Title:   Kinetic studies on the reactions of heptafluoropropanes with O(3P) and H atoms at high temperatures
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   1417 - 1424
Year:   2004
Reference type:   Journal article
Squib:   2004YAM/TAK1417-1424

Reaction:   CF3CHFCF3 + H2 + (CF3)2CF
Reaction order:   2
Temperature:   1000 - 1180 K
Pressure:  6.00E13 bar
Rate expression:   7.08x10-10 [±5.5x10-10 cm3/molecule s] e-63000 [±14000 J/mole]/RT
Bath gas:   Ar
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   Shock tube study of the reaction both H and O atoms with the two heptafluoropropanes. O atoms produced by 193 or 248 nm excimer laser photolysis of SO2. H atoms produced in thermal decomposition of C2H5I -> C2H5 + I -> C2H4 + H. H and O atoms detected by ARAS. Total pressure Argon fixed at density of 6.09E18 molecules/cm3. Typical concentrations of 0.1-0.5% for fluoropropanes, 200-400 ppm for SO2 and 4 ppm for C2H5I.

Ab initio calculations were also done at the G2MP2 level and the authors report good agreement between ab initio barriers and those from the shock tube rate measurements.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1000 3.63E-13
1025 4.36E-13
1050 5.20E-13
1075 6.15E-13
1100 7.22E-13
1125 8.41E-13
1150 9.74E-13
1175 1.12E-12
1180 1.15E-12