An Interpretation of Behavior of Ethylamine Ion Produced by Electron-impact
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The relative bond energies of the ethylamine ion and the potential energy curves of its dissociation were calculated by the unrestricted MINDO/2 method in attempt to explain the specific cleavage of the ion . Simple cleavage reactions of doublet ion were generally classified into two groups of reaction according to the formal movement of the unpaired electron in the reaction. It was revieled that the reactions so-called α-cleavage orβ-bond cleavage belong to a group of reaction in which a strong interstate interaction inevitablly appears in the course of reaction causing lower transition energy. A qualitative interpretation was given for the relationship between the net charge density of the highest occupied molecular orbital and the scission probabilities. The validity of the Bell-Evans-Polanyi principle in mass spectral reaction was discussed.
- 日本質量分析学会の論文
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