Abstract We present an experimental and theoretical study of electron ionization (EI) of Cyclopropylamine (CPA) molecule, using crossed electron – molecular beam technique with mass spectrometric detection of the ions. We have obtained energy resolved mass spectra, and electron energy dependent ion efficiency curves for ions of particular mass charge ratios (m/z). Except the ionization energy of the CPA molecule (8.46 ± 0.20 eV) we have evaluated the appearance energies of most of the ions in the mass spectrum formed via dissociative ionization (DI) processes. In addition we have carried out He* photoelectron spectrometry (PES) and determined the Vertical Ionization Energy (VIE) of 9.47 ± 0.1 eV and detected the excited states of CPA. PES study was supported by outer valence green function (OVGF) calculation of the vertical ionization energy (9.55 eV). We have carried out quantum-chemical calculations of the neutral molecule, of the molecular ions, the neutral and ionic fragments and the reaction enthalpies for the DI processes were calculated. The theoretical DI values were applied for identification of the DI reactions and fragment ions in experiment.

中文翻译：

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环丙胺的电子电离和光电离

摘要 我们提出了环丙胺 (CPA) 分子的电子电离 (EI) 的实验和理论研究，使用交叉电子 - 分子束技术和离子质谱检测。我们已经获得了特定质荷比 (m/z) 离子的能量分辨质谱和电子能量相关离子效率曲线。除了 CPA 分子的电离能 (8.46 ± 0.20 eV)，我们还评估了通过解离电离 (DI) 过程形成的质谱中大多数离子的出现能。此外，我们还进行了 He* 光电子能谱 (PES) 并确定了 9.47 ± 0.1 eV 的垂直电离能 (VIE) 并检测了 CPA 的激发态。PES 研究得到了垂直电离能 (9. 55 电子伏特）。我们已经对中性分子、分子离子、中性和离子碎片进行了量子化学计算，并计算了 DI 过程的反应焓。理论 DI 值用于鉴定实验中的 DI 反应和碎片离子。