Oxidation of HOSO by O2 (3σg-): a key reaction deciding the fate of HOSO in the atmosphere

被引：3
|
作者：
Rai, Philips Kumar [1 ]
Sarkar, Saptarshi [1 ]
Bandyopadhyay, Biman [1 ]
Kumar, Pradeep [1 ]
机构：
[1] Malaviya Natl Inst Technol Jaipur, Dept Chem, Jaipur 302017, Rajasthan, India
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2022年 / 24卷 / 26期
关键词：
COUPLED ELECTRON-TRANSFER; SULFUR-DIOXIDE; FORMIC-ACID; ATOM; THERMOCHEMISTRY; INTERMEDIATE; MECHANISMS; AMMONIA; OXYGEN; AIR;
D O I：
10.1039/d2cp00001f
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：
In the present work, we have studied the oxidation of HOSO by O-2 ((3)sigma(-)(g)) employing quantum chemical and kinetic calculations. The present work reveals that HOSO + O-2 ((3)sigma(-)(g)) is a barrierless reaction which proceeds through a stable hydrogen-bonded complex. The estimated atmospheric lifetime of HOSO in the presence of O-2 ((3)sigma(-)(g)) is found to be several orders of magnitude less compared to the other oxidation paths of HOSO, suggesting that the oxidation of HOSO by O-2 ((3)sigma(-)(g)) might be the most dominant oxidation path of HOSO in the atmosphere.
引用
收藏
页码：16274 / 16280
页数：7
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