Semi-quantitative Analysis of Fragmentation Processes of Ethylene Ion by Modified Extended Hückel Method
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概要
- 論文の詳細を見る
For the theoretical study of fragmentation processes to produce acetylene ion, a modified extended Hückel method was presented, where the explicit inclusion of repulsive potential was intended between the two nuclei. The potential curves were calculated for possible fragmentation processes, direct detachment of a hydrogen molecule and detachment of the molecule after scrambling of hydrogen atoms, in order to obtain the required barrier energies. The results showed that the scrambling process through the asymmetric structure required the lowest energy, that is, the most probable process is the scrambling. This is compatible with the experimental results reported previously.
- 日本質量分析学会の論文
著者
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MATSUO Takashi
Department of Applied Chemistry, Graduate School of Engineering, Osaka University
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SUZUKI Isao
Electrotechnical Laboratory
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MAEDA Kogoro
Electrotechnical Laboratory
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Maeda Kogoro
Electrotechical Laboratory
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Matsuo Takashi
Department Of Applied Chemistry Graduate School Of Engineering Osaka University
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Matsuo Takashi
Department of Physics, Tokyo Metoropolitan University
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