Atmospheric chemistry of CF₃C[tbnd]CH: Kinetics, products, mechanism of gas-phase reaction with OH radicals, and atmospheric implications-an effort for novel ‘class’ of refrigerant

We use the relative method to first evaluate the atmospheric chemistry of CF₃C[tbnd]CH that would play significant role in novel refrigerant development. We show that rate constant (k_OH) for the gas-phase reaction of CF₃C[tbnd]CH with OH radicals at 298 K is measured to be (2.15 ± 0.02) × 10⁻¹³ cm³ molecule⁻¹ s⁻¹, with Arrhenius expression as k_OH=(3.40 ± 0.46) × 10⁻¹² exp ((-832.70 ± 38.86)/T). Subject to the short atmospheric lifetime of CF₃C[tbnd]CH of 53.9 d and radiative efficiency of 0.071 W m⁻² ppb⁻¹, the global warming potentials (GWPs) for 20, 100, and 500 yr are 42, 11, and 3, respectively. CF₃C[tbnd]CH emissions are predicated to produce CO, CO₂, COF₂ and CF₃O₃CF₃ as the main carbon-containing products. The photochemical ozone creation potential of the CF₃C[tbnd]CH is 2.49 and 1.05 in Northwestern European and US urban areas, respectively. Density functional theory calculations further explained its possible degradation mechanism in atmosphere. Our work provides basic evidence for future molecular design of environmental-friendly C[tbnd]C containing substances.