Deprotonation of α-distonic ions. Proton affinities of the α-radicals

The proton affinity at the heteroatom PA X of four α-radicals (CH 2OH, CH 3CHOH, CH 2OCH 3 and CH 2NH 2) was measured by studying the deprotonation of the corresponding α-distonic ions in the cell of a FTICR spectrometer. This method can only be used for α-distonic ions which are more stable than th...

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Bibliographic Details
Published in:International journal of mass spectrometry and ion processes 1996, Vol.157, p.275-282
Main Authors: Audier, H.E., Fossey, J., Mourgues, P., Leblanc, D., Hammerum, S.
Format: Article
Language:English
Subjects:
Deprotonation
FTICR
Proton affinities
α-Distonic ions
α-Radicals
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Summary:The proton affinity at the heteroatom PA X of four α-radicals (CH 2OH, CH 3CHOH, CH 2OCH 3 and CH 2NH 2) was measured by studying the deprotonation of the corresponding α-distonic ions in the cell of a FTICR spectrometer. This method can only be used for α-distonic ions which are more stable than their molecular ion counterpart. It was found that the PA X of the CH 2OH, CH 3CHOH, CH 2OCH 3 and CH 2NH 2 α-radicals lies respectively 15.7, 14.5, 10.1 and 17.2 kcal mol −1 under that of CH 3OH, CH 3CH 2OH, CH 3OCH 3 and CH 3NH 2. These results are in good agreement with the PA obtained by high level ab initio calculations.
ISSN:0168-1176
1873-2801
DOI:10.1016/S0168-1176(96)04397-2