摘要
采用量子化学方法研究了CCl3O与NO及NO2反应机理.计算结果表明CCl3O+NO反应的主要产物为CCl2O+ClNO;次要产物为CCl2O+ClON.CCl3O+NO2反应的主要产物为CCl3ONO2和CCl2O+ClNO2.通过对反应机理的研究可以更好的理解CCl3O的大气化学行为.
The mechanisms for the reactions of CC13 O ＋ NO and CC13 O＋ NO2 were investigated with quantum chemistry method. The result indicates that for the former reaction the dominant product is CCI2O＋CINO and CCI2O＋ C1ON is subdominant product. While for the late reaction, the mainly products include CCLONO2 and CC120＋C1NOz. From the reaction channels of these reaction we can get information about the atmospheric chemistry of CC13 O.
出处
《分子科学学报》
CAS
CSCD
北大核心
2014年第5期353-358,共6页
Journal of Molecular Science
基金
国家自然科学基金资助项目(21207075)
教育部留学回国人员科研启动基金资助项目
