The Mechanism and Kinetics of the Atmospheric Oxidation of CF3(CF2)2CH=CH2 (HFC-1447fz) by hydroxyl radical: Ab Initio investigation

The oxidation of 3,3,4,4,5,5,5-heptafluoro-1-pentene (HFC-1447fz) by hydroxyl radical plays a crucial role in atmospheric condition. Employing M06-2X/6-311++G(d,p)// CCSD(T)/cc-pVTZ//M06-2X/6-311++G (d, p) level of theory, the detailed reaction mechanism, kinetics and atmospheric...