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  5. Photoinduced Curtius Rearrangement of Fluorocarbonyl Azide,FC(O)N3:A QM/MM Nonadiabatic Dynamics Sim

Photoinduced Curtius Rearrangement of Fluorocarbonyl Azide,FC(O)N3:A QM/MM Nonadiabatic Dynamics Sim

来源 :第十五届全国化学动力学会议 | 被引量 : 0次 | 上传用户：TCH376854850
【摘 要】
：
Upon either photolysis or pyrolysis,fluorocarbonyl azide FC(O)N3 can eliminate molecular nitrogen and form isocyanate.Though two different pathways(i.e.stepwise and concerted patterns)have been propos
【作 者】
：
Bin-Bin Xie Ganglong Cui Wei-Hai Fang 
【机 构】
：
Key Laboratory of Theoretical and Computational Photochemistry,Ministry of Education,College of Chem
【出 处】
：
第十五届全国化学动力学会议
【发表日期】
：
2017年10期
【关键词】
：
Nonadiabatic dynamics Photolysis Curtius rearrangement Fluorocarbonyl azide 
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论文部分内容阅读
　　Upon either photolysis or pyrolysis,fluorocarbonyl azide FC(O)N3 can eliminate molecular nitrogen and form isocyanate.Though two different pathways(i.e.stepwise and concerted patterns)have been proposed,the detailed decomposition mechanism is still elusive until now.
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