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分子束取样结合同步辐射光电离质谱技术研究了低压汽油／氧气／氩气预混火焰中的烯丙基自由基,测得了它的光电离效率曲线,通过光电离效率曲线得到烯丙基的电离阈值为(8.13±0.02)eV。另外,用从头算分子轨道理论得到了烯丙基及其阳离子的构型和能量,给出了烯丙基自由基的绝热电离能为8.18 eV。计算的电离能与实验得到的电离能符合得很好,这一结果有助于今后鉴别和分析其它火焰中的烯丙基自由基,且对研究火焰燃烧机理有十分重要的价值。
Molecular beam sampling combined with synchrotron radiation photoionization mass spectrometry was used to study the allyl free radical in low pressure gasoline / oxygen / argon premixed flame. The photoionization efficiency curve was obtained. The ionization efficiency of allyl The threshold is (8.13 ± 0.02) eV. In addition, the configuration and energy of the allylic groups and their cations are obtained from ab initio molecular orbital theory. The adiabatic ionization energy of allyl radicals is 8.18 eV. The calculated ionization energies are in good agreement with the experimentally obtained ionization energies. This result is helpful to identify and analyze the allyl free radicals in other flames in the future, and is of great value for studying flame combustion mechanism.