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Accessibility information
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:   1
Temperature:   1000 - 2500 K
Rate expression:   1.6x1015 [s-1] e-342700 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high 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) [s-1]
1000 2.01E-3
1100 8.53E-2
1200 1.94E0
1300 2.72E1
1400 2.62E2
1500 1.86E3
1600 1.04E4
1700 4.73E4
1800 1.82E5
1900 6.07E5
2000 1.79E6
2100 4.79E6
2200 1.17E7
2300 2.64E7
2400 5.57E7
2500 1.11E8