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Author(s):   Liu, Y.Z.; Xin, Y.; Pei, L.S.; Chen, Y.; Chen, C.X.
Title:   Reaction kinetic studies of CCl2 (X(0,0,0)) with several simple molecules
Journal:   Chem. Phys. Lett.
Volume:   385
Page(s):   314 - 318
Year:   2004
Reference type:   Journal article
Squib:   2004LIU/XIN314-318

Reaction:   CHFCl2 + CCl2 (X 1A1) → Products
Reaction order:   2
Temperature:   297 K
Pressure:  1.60E-2 bar
Rate expression:   3.6x10-14 [±8.0x10-15 cm3/molecule s]
Bath gas:   Ar
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Laser induced fluorescence
Comments:   Experimental study of reaction of CCl2 with a series of gases. Total pressure typically 12 torr Argon. CCl2 produced by 213 nm photolysis of CCl4. LIF used to detect decay of CCl2. Typically used about 0.2 torr CCl4 for precursor and estimated density of CCl2 of 1E12 cm-3. Typical co-reactant gas about 100 mtorr. Temperature 297 K.

Also did ab initio calculations on CH2Cl2 + Cl2 -> PRODUCTS to elucidate reaction pathways. Here used variants of G2 method. Found barrier to insertion of CH bond about 9 kcal/mol while barrier to insertion into CCl bond about 40 kcal/mol. Measured rate constants for CCl2 + CH2Cl2 and with CCl4 are nearly the same, so unclear what mechanism is for CCl4 reaction if barrier to insertion is 40 kcal/mol?

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