Temperature dependent rate coefficients for the reaction of ethyl tiglate (ET) with Cl atoms, were investigated using relative rate method. The rate coefficients were calculated using Canonical Variational Transition State Theory incorporated with Small Curvature Tunneling (CVT/SCT) coupled with interpolated single point energies (ISPE) method over the temperature range of 200-400K. The thermochemistry, branching ratios for each reaction channels, atmospheric effects and cumulative lifetime of ET were also calculated and discussed. The possible degradation mechanism for the title reactions were also explored.

中文翻译：

---

Cl原子引发的对酸乙酯的对流层化学

用相对速率法研究了钛酸乙酯（ET）与Cl原子反应的温度依赖性速率系数。速率系数的计算方法是在200-400K的温度范围内，结合小曲率隧穿（CVT / SCT）和内插单点能量（ISPE）方法的典型变分过渡状态理论。还计算和讨论了热化学，每个反应通道的支化比，大气效应和ET的累积寿命。还探讨了标题反应可能的降解机理。