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Citation: Xu Si-Chuan, Zhao Xin-Sheng. Reaction Mechanism of Chlorine Nitrate with HCl on lce Surface[J]. Acta Physico-Chimica Sinica, ;1998, 14(01): 5-7. doi: 10.3866/PKU.WHXB19980102 shu

Reaction Mechanism of Chlorine Nitrate with HCl on lce Surface

1.
Department of Chemistry,Peking University,Beijing 100871

Received Date: 23 October 1997
Available Online: 15 January 1998

On the line of multi-molecule-formed transition state mechanism, reaction of ClONO2 with HCl on ice surface was investigated with model system by theoretical ab initio calculations. In the gas phase, the barrier of reaction of ClONO2 with HCl is 240.2kJ•mol-1at MP2HF/6-31G(d) level. The barriers drop substantially with the involvement of water molecules. The barrier of reaction of ClONO2 with 2H2O•HCl is 4.6kJ•mol-1 at the same theoretical level which suggests that the reaction of ClONO2 with HCl can occur readily on ice surface. The detailed account will be published in near future.
- Chlorine nitrate,
- Hydrogen chloride,
- Reaction mechanism,
- Ice surface,
- Ozone hole
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