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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.
Page(s): 314 - 318
Reference type: Journal article
CHFCl2 + CCl2 (X 1A1) → Products
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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