Theoretical investigation of the atmospheric implication for the reaction of OH radical with CFC(CH)-CX, X = H, F.

The atmospheric implication of the hydrofluoroolefines (HFO) CFC(CH)-CX, X=(H,F), through the reactions with OH radical were assessed using the M06-2X/6-311++G(df,p)//6-31+G(df,p) method. The rate coefficient was calculated over the temperature range 200-500 K, and was accurately expressed in non-Arrhenius form exp(a+bT+cT) cmmolecules, where a, b, and c are real constants. This served to estimate the atmospheric lifetime along with the photochemical ozone creation potential (POCP), which yielded lifetimes of 0.