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Fragment and cluster ions from gaseous and condensed pyridine produced under electron impact
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-09-25 00:00:00 , DOI: 10.1039/c8cp04335c Fabio de A. Ribeiro 1, 2, 2, 3, 4 , Benedikt Rudek 5, 6, 7, 8, 9 , Henrique B. A. Cerqueira 2, 4, 10 , Ricardo R. Oliveira 2, 4, 10 , Alexandre B. Rocha 2, 4, 10 , Maria Luiza M. Rocco 2, 4, 10 , Wania Wolff 2, 3, 4
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-09-25 00:00:00 , DOI: 10.1039/c8cp04335c Fabio de A. Ribeiro 1, 2, 2, 3, 4 , Benedikt Rudek 5, 6, 7, 8, 9 , Henrique B. A. Cerqueira 2, 4, 10 , Ricardo R. Oliveira 2, 4, 10 , Alexandre B. Rocha 2, 4, 10 , Maria Luiza M. Rocco 2, 4, 10 , Wania Wolff 2, 3, 4
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We report on direct measurement of all major ion-fragments and cluster-ions formed during high-energy electron impact of 2 keV on gaseous and condensed-phase pyridine. The ion-fragments of the parent pyridine cation are discussed in groups according to the number of atoms from the aromatic ring. The ion yield distributions within these groups show significant shifts towards higher masses for condensed pyridine compared to gaseous pyridine due to hydrogen migration. A wide spectrum of desorbed hydrogenated fragment-ions and ionic clusters with masses up to 320 u are observed for pyridine. The ion yields for the protonated parent molecule (C5H5NH+), the dehydrogenated dimer (C10H9N2+) and the dehydrogenated trimer (C15H12N3+) depend on the mass of the desorbing ionic clusters. The strongest cluster signals are assigned to binding between the parent cation and subunits of the pyridine molecule. Quantum-chemical calculations reveal that the formation of a bond between the pyridine molecules and a carbenium ion is crucial for the stability of selected cluster ions.
中文翻译：
电子撞击下从气态和缩合吡啶中产生的碎片和团簇离子
我们报告了直接测量2 keV对气态和冷凝相吡啶的高能电子撞击过程中形成的所有主要离子碎片和簇离子的情况。母体吡啶阳离子的离子片段根据来自芳环的原子数进行分组讨论。由于氢迁移，与气态吡啶相比，这些组中的离子产率分布显示出冷凝吡啶向更高质量的显着变化。对于吡啶，可观察到质量最高为320 u的宽范围解吸的氢化碎片离子和离子簇。质子化的母体分子（C 5 H 5 NH +），脱氢的二聚体（C 10 H 9 N 2 +）和脱氢三聚体（C 15 H 12 N 3 +）取决于解吸离子簇的质量。最强的簇信号分配给吡啶分子的母体阳离子和亚基之间的结合。量子化学计算表明，吡啶分子和碳正离子之间的键的形成对于所选簇离子的稳定性至关重要。
更新日期：2018-09-25
中文翻译：
电子撞击下从气态和缩合吡啶中产生的碎片和团簇离子
我们报告了直接测量2 keV对气态和冷凝相吡啶的高能电子撞击过程中形成的所有主要离子碎片和簇离子的情况。母体吡啶阳离子的离子片段根据来自芳环的原子数进行分组讨论。由于氢迁移，与气态吡啶相比，这些组中的离子产率分布显示出冷凝吡啶向更高质量的显着变化。对于吡啶，可观察到质量最高为320 u的宽范围解吸的氢化碎片离子和离子簇。质子化的母体分子（C 5 H 5 NH +），脱氢的二聚体（C 10 H 9 N 2 +）和脱氢三聚体（C 15 H 12 N 3 +）取决于解吸离子簇的质量。最强的簇信号分配给吡啶分子的母体阳离子和亚基之间的结合。量子化学计算表明，吡啶分子和碳正离子之间的键的形成对于所选簇离子的稳定性至关重要。
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