| Autor: |
Kaoru Yamanouchi, Katsunori Nakai |
| Rok vydání: |
2015 |
| Předmět: |
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| Zdroj: |
Springer Proceedings in Physics ISBN: 9783319132419 |
| DOI: |
10.1007/978-3-319-13242-6_38 |
| Popis: |
First principles molecular dynamics calculations of energized CH\(_{3}\)NH\( _{2}^{2 + } \) and CH\( _{3} \)CH\( _{3}^{2 + } \) are performed to examine whether the formation of a long-lived neutral H\( _{2} \) moiety identified in CH\( _{3} \)OH in our previous study [Nakai et al., J. Chem. Phys. 139, 181103 (2013)] is a phenomenon commonly identified in energized hydrocarbon dications. A neutral H\( _{2} \) moiety generated within a doubly charged parent ion is considered to play a crucial role in the hydrogen scrambling process in CH\( _{3} \)CH\( _{3}^{2 + } \), leading eventually to the ejection of H\( _{3}^{ + } \). |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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