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Author(s):   Cobos, C.J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A.; Troe, J.
Title:   Shock Wave and Theoretical Modeling Study of the Dissociation of CH2F2. I. Primary Processes
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   7813 - 7819
Year:   2017
Reference type:   Journal article
Squib:   2017COB/HIN7813-7819

Reaction:   CH2F2HF + ·CHF
Reaction order:   2
Temperature:   1000 - 2500 K
Rate expression:   1.94x101 [cm3/molecule s] (T/298 K)-7.66 e-369700 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   The reaction channels of unimolecular dissociation of difluoromethane were investigated by quantum-chemical calculations and unimolecular rate theory. Falloff parameterization is provided.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1000 8.88E-23
1100 2.44E-21
1200 3.63E-20
1300 3.40E-19
1400 2.22E-18
1500 1.09E-17
1600 4.23E-17
1700 1.36E-16
1800 3.76E-16
1900 9.13E-16
2000 1.99E-15
2100 3.94E-15
2200 7.22E-15
2300 1.24E-14
2400 2.00E-14
2500 3.07E-14