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The Ionization Potential of Si_2 N and Si_2O

机译:Si_2N和Si_2O的电离势

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摘要

One-color resonant and nonresonant ionization studies of Si_2N and Si_2O have been performed using a pulsed laser vaporization cluster source in conjunction with a time-of-flight mass spectrometer. The ionization potential of Si_2N is established as less than 6.4 eV, while the ionization potential of Si_2O is bracketed between 6.4 and 7.9 eV. The experimentally established ionization potential for Si_2N is confirmed by detailed molecular electronic structure calculations which indicate an adiabatic as well as vertical ionization potential of 6.2 ± 0.05 eV and a close similarity between neutral Si_2N and ionic Si_2N~+. Similar detailed calculations lead to a best estimate of an adiabatic ionization energy of 7.42 ± 0.04 eV and a vertical ionization energy of 7.66 ± 0.04 eV for Si_2O.
机译:已经使用脉冲激光汽化簇源结合飞行时间质谱仪对Si_2N和Si_2O进行了单色共振和非共振电离研究。 Si_2N的电离电势被确定为小于6.4 eV,而Si_2O的电离电势被包围在6.4和7.9 eV之间。通过详细的分子电子结构计算证实了实验确定的Si_2N的电离电势,该计算表明绝热和垂直电离电势为6.2±0.05 eV,并且中性Si_2N与离子型Si_2N〜+相似。类似的详细计算可得出Si_2O的绝热电离能为7.42±0.04 eV,垂直电离能为7.66±0.04 eV的最佳估计。

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