The bimolecular hydrogen abstraction rate constants of the reactions trans-cyc-CF₂CF₂CF₂CHFCHF + OH and cyc-CF₂CF₂CF₂CHFCH₂ + OH are investigated. The stationary points on the potential energy surface of the reaction are found at the KMLYP/6-311+g(d,p). To have more reliable energies obtained, single point calculations are done by the same method along with two distinct basis sets; 6-311++G(3df,2p) and aug-cc-pVTZ. Furthermore, the energies of the stationary points are calculated at the levels M05-2X/6-31+G(d,p)//MG3S and MPWB1K/6-31+G(d,p)//MG3S for the purpose of comparison. The ro-vibrational properties calculated at KMLYP/6-311+G(d,p) are employed in the semiclassical transition state theory to compute the rate constants at the temperature range of 200–2000 K. We found that the rate constants computed via the barrier heights at M05-2X and MPWB1K are in more accordance with the experimental results than the ones at the DFT level KMLYP. The atmospheric lifetime of trans-cyc-CF₂CF₂CF₂CHFCHF and cyc-CF₂CF₂CF₂CHFCH₂ are estimated by the level M05-2X to be 1.21 years and 3.59 years, respectively.

反式-cyc- CF ₂ CF ₂ CF ₂ CHFCHF + OH和cyc- CF ₂ CF ₂ CF ₂ CHFCH ₂反应的双分子氢提取速率常数研究了+ OH。反应势能面上的固定点位于KMLYP / 6-311 + g（d，p）。为了获得更可靠的能量，可以通过相同的方法以及两个不同的基集进行单点计算。6-311 ++ G（3df，2p）和aug-cc-pVTZ。此外，出于以下目的，计算出固定点的能量为M05-2X / 6-31 + G（d，p）// MG3S和MPWB1K / 6-31 + G（d，p）// MG3S比较。在半经典过渡态理论中，使用KMLYP / 6-311 + G（d，p）计算的旋转振动特性来计算200–2000 K温度范围内的速率常数。 M05-2X和MPWB1K的势垒高度比DFT级别KMLYP的势垒高度更符合实验结果。大气寿命通过M05-2X级别估计反式-cyc- CF ₂ CF ₂ CF ₂ CHFCHF和cyc- CF ₂ CF ₂ CF ₂ CHFCH ₂分别为1.21年和3.59年。