“Temperature-dependent Kinetic Study of the Photo-oxidation Reaction of Vinyl Butyrate with Cl atoms and Fate of the Formation of Alkoxy Radicals”
R. Kaipara, A. Kumar, P. Gupta & B. Rajakumar. Chem. Phys. Lett. 2021, 771, 138500.

Highlights • A negative temperature-dependent Arrhenius behavior was observed for the gas-phase photo-oxidation reaction of Vinyl butyrate (VB) with Cl atom. • Addition reaction channels were more feasible and labile than H-abstraction reaction channels. • Formation of carbonyl compounds was found to be major degradation products. • CAL, RF, GWP and POCP were estimated to be short-lived and small. RR-GC-FID technique was used to investigate the rate coefficient (k) for the reaction of vinyl butyrate (VB) with Cl atoms in the temperature range of 268 and 363 K at 760 Torr of N2. The k at 298 K was measured to be k(VB+Cl, 298K) =(2.57±0.68)×10-10 cm3 molecule−1 s−1. To comprehend the reaction pathway, and kinetic parameters associated with the title reaction were assessed computationally using CVT/SCT/ISPE method at CCSD(T)//MP2/6-311++G(d,p) level of theory. Product analysis was performed using GC–MS and GC-IR. Cumulative Atmospheric Lifetime (CAL), Radiative Forcing (RF), Global Warming Potential (GWP) and Photochemical Ozone Creation Potential (POCP) were estimated.