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Title: On the loss of water from the molecular ions of S-alkyl thioformates
Authors: Lahem, D ×
Flammang, R
Nguyen, Minh Tho #
Issue Date: 1997
Publisher: COMITE VAN BEHEER VAN HET BULLETIN VZW
Series Title: Bulletin des sociétés chimiques belges vol:106 issue:11 pages:709-716
Conference: date:Univ Mons, Organ Chem Lab, B-7000 Mons, Belgium; Katholieke Univ Leuven, Dept Chem, B-3001 Louvain, Belgium
Abstract: The loss of water from a series of S-alkyl thioformate molecular ions has been investigated using tandem mass spectrometry methodologies: collision induced dissociations, neutralization-reionization and MS/MS/MS experiments. It is shown that the dehydration process, which requires a double hydrogen transfer, gives rise to thiete ions, the latter are indistinguishable from the ring opened isomers, thioacrolein ions, as suggested by ab initio molecular orbital calculations at the QCISD(T)/6-31G(d,p) level. Overall, a mechanism involving a [1,3] elimination of water from ionized thiacyclobutanol intermediates is proposed.
ISSN: 0037-9646
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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