The Fragmentation Mechanisms in CH3X Interpreted by Using the Molecular Orbital Method

The breakdown curves of various CH3X after charge exchange reactions were obtained using a double mass spectrometer of the perpendicular type, and it was found that the C-X bond was easy to dissociate in methylhalides(Group A)whereas it was not in methylamine, methanol and methylmercaptan(Group B)....

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Published inJournal of the Mass Spectrometry Society of Japan Vol. 22; no. 4; pp. 233 - 238
Main Authors IKUTA, SHIGERU, 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:The breakdown curves of various CH3X after charge exchange reactions were obtained using a double mass spectrometer of the perpendicular type, and it was found that the C-X bond was easy to dissociate in methylhalides(Group A)whereas it was not in methylamine, methanol and methylmercaptan(Group B). The difference of the C-X bond rupture between two groups was well explained on the basis of the eigenvectors calculated by the Extended Hiickel Molecular Orbital method. It is obvious that the fragmentation directly occurs at the bond at which the electron is ejected.
ISSN:1340-8097
1880-4225
1884-3271
DOI:10.5702/massspec1953.22.233