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Identiˉcation and Chemistry of Phenylnitrene in Premixed Pyridine/Oxygen/Argon Flame with Tunable Synchrotron Photoionization
Zhen-yu Tian,Tao Yuan,Jing Wang,Yu-yang Li,Tai-chang Zhang,Ai-guo Zhu,Fei Qi*
Author NameAffiliationE-mail
Zhen-yu Tian National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Tao Yuan National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Jing Wang National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Yu-yang Li National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Tai-chang Zhang National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Ai-guo Zhu National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China  
Fei Qi* National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China fqi@ustc.edu.cn 
Abstract:
The triplet state phenylnitrene (PhN) species generated from the low-pressure (4.0 kPa) premixed laminar pyridine/oxygen/argon °ame was detected and identiˉed using tunable synchrotron vacuum ultraviolet photoionization and molecular-beam mass spectrometry techniques. The ionization energies of PhN were determined experimentally by photoionization e±ciency spectra and theoretically by calculations. The results indicate that PhN has a 3A2 ground state and its ˉrst and second adiabatic ionization energies are 8.04 and 9.15§0.05 eV, respectively. Furthermore, the formation and consumption pathways of PhN are proposed according to the species detected in the present work. PhN is the ˉrst nitrogen-containing diradical detected in combustion chemistry, and so it should be added to the kinetic model of pyridine °ames.
Key words:  Pyridine, Phenylnitrene, Low-pressure premixed °ame, Tunable vacuum ultraviolet photoionization, Molecular-beam mass spectrometry
FundProject:国家自然科学基金
吡啶/氧气/氩气火焰中氮宾的鉴别和化学研究
田振玉,袁涛,王晶,李玉阳,张泰昌,朱爱国,齐飞*
摘要:
利用可调谐同步辐射真空紫外光电离和分子束质谱技术探测和鉴别了低压预混层流吡啶/氧气/氩气火焰中的三重态氮宾.通过测量光电离效率谱和理论计算确定了氮宾的电离能.结果表明氮宾的基态为三重态,其第一和第二绝热电离能分别为8.04和9.15§0.05 eV.另外,根据已探测到的物种提出了氮宾的形成和消耗通道.氮宾是燃烧化学中探测到的第一个含氮双自由基,因此,在吡啶火焰的动力学模型中应该将它考虑进去.
关键词:  吡啶,氮宾,低压预混火焰,可调协真空紫外光电离,分子束质谱
DOI:10.1088/1674-0068/20/04/425-430
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