Theoretical Study on Electron Impact Mass Spectrometry: III. ab initio MO Study on the Fragmentation of Propylamine

Takae Takeuchi; Masao Yamamoto; Kichisuke Nishimoto

doi:10.5702/massspec.34.267

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Theoretical Study on Electron Impact Mass Spectrometry: III. ab initio MO Study on the Fragmentation of Propylamine

Takae Takeuchi, Masao Yamamoto, Kichisuke Nishimoto

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Keywords: Fragmentation mechanisms, ab initio MO calculation, Potential energy curves, Propylamine, EIMS

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1986 Volume 34 Issue 5 Pages 267-278

DOI https://doi.org/10.5702/massspec.34.267

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Abstract

In order to elucidate the fragmentation mechanism of propylamine following the low energy electron bombardment, the potential energy curves have been calculated by means of ab initio MO methods (STO-3G/4-31G). The present study indicates that the fragmentation due to C_α-C_β bond cleavage is the main process at the low energy.

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