Rate Coefficient Measurements and Theoretical Analysis of the OH + (E)-CF3CH═CHCF3 Reaction

Rate coefficients, k, for the gas-phase reaction of the OH radical with (E)-CF3CH═CHCF3 ((E)-1,1,1,4,4,4-hexafluoro-2-butene, HFO-1336mzz(E)) were measured over a range of temperatures (211–374 K) and bath gas pressures (20–300 Torr; He, N2) using a pulsed laser photolysis–laser-induced fluorescence (PLP–LIF) technique. k1(T) was independent of pressure over this range of conditions with k1(296 K) = (1.31 ± 0.15) × 10–13 cm3 molecule–1 s–1 and k1(T) = (6.94 ± 0.80) × 10–13exp[−(496 ± 10)/T] cm3 molecule–1 s–1, where the uncertainties are 2σ, and the pre-exponential term includes estimated systematic error. Rate coefficients for the OD reaction were also determined over a range of temperatures (262–374 K) at 100 Torr (He). The OD rate coefficients were ∼15% greater than the OH values and showed similar temperature dependent behavior with k2(T) = (7.52 ± 0.44) × 10–13exp[−(476 ± 20)/T] and k2(296 K) = (1.53 ± 0.15) × 10–13 cm3 molecule–1 s–1. The rate coefficients for reaction 1 were also measured using a r...