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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:   CH2F2H2 + ·CF2
Reaction order:   2
Temperature:   1000 - 2500 K
Rate expression:   1.05x102 [cm3/molecule s] (T/298 K)-7.70 e-427900 [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 4.20E-25
1100 2.17E-23
1200 5.48E-22
1300 8.01E-21
1400 7.66E-20
1500 5.22E-19
1600 2.71E-18
1700 1.13E-17
1800 3.90E-17
1900 1.16E-16
2000 3.03E-16
2100 7.08E-16
2200 1.51E-15
2300 2.96E-15
2400 5.42E-15
2500 9.33E-15