Application of Molecular Orbital Calculation to Fragment Ionization Processes in Ethanol and Ethylamine

Applicability of the MO interpretation for the phenomena of fragment ionization processes in ethanol and ethylamine has been studied. The double maxima of the C2H4OH+ ion and of the CH2OH+ ion, which are not easily accounted for by the quasi-equilibrium theory, were well explained by our molecular o...

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Published inJournal of the Mass Spectrometry Society of Japan Vol. 22; no. 4; pp. 239 - 244
Main Authors IKUTA, SHIGERU, HARADA, KATSUNORI, YOSHIHARA, KENJI, SHIOKAWA, TAKANOBU
Format Journal Article
LanguageEnglish
Published Tokyo The Mass Spectrometry Society of Japan 1974
Japan Science and Technology Agency
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Summary:Applicability of the MO interpretation for the phenomena of fragment ionization processes in ethanol and ethylamine has been studied. The double maxima of the C2H4OH+ ion and of the CH2OH+ ion, which are not easily accounted for by the quasi-equilibrium theory, were well explained by our molecular orbital calculation. It was also found that appearance of fragment ions and that of the band in photoelectron spectra in these substances are correlated to each other. From these results it was confirmed that bond scission occurs at the bond at which the electron is ejected.
ISSN:1340-8097
1880-4225
1884-3271
DOI:10.5702/massspec1953.22.239