Atmospheric fate of formyl chloride and mechanisms of the gas-phase reactions with OH radicals and Cl atoms

被引：3
|
作者：
Vijayakumar, S. [1 ,2 ]
Wilmouth, David M. [1 ,2 ]
机构：
[1] Harvard Univ, Harvard John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA
[2] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA
来源：
CHEMICAL PHYSICS LETTERS | 2021年 / 777卷
基金：
美国国家航空航天局;
关键词：
Atmospheric Chemistry; Formyl chloride; Very Short-Lived Substances; Gas phase kinetics; OH radicals; CHEMICAL-REACTION RATES; THEORETICAL INVESTIGATIONS; KINETICS; CHEMISTRY;
D O I：
10.1016/j.cplett.2021.138709
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Formyl chloride (HCOCl) is a major product in the atmospheric degradation of several chlorinated hydrocarbons, but its atmospheric fate is not well known. Here, the kinetics of HCOCl with OH radicals and Cl atoms were studied over the temperature range of 180 to 400 K using Canonical Variational Transition state theory including Small Curvature Tunneling correction (CVT/SCT). The obtained temperature-dependent rate coefficients for the reactions of HCOCl with OH and Cl are (1.86 +/- 0.7) x 10(-11) exp[(1217 +/- 19)/T] cm(3)molecule(-1)s(-1) and (9.87 +/- 0.6) x 10(-12) exp[( 747 +/- 33)/T] cm(3)molecule(-1)s(-1), respectively. Reaction mechanisms and thermodynamic parameters for the title reactions were studied, and the atmospheric lifetime of HCOCl was determined.
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页数：6
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