Gasphasen-Reaktionen, 30. Thioacrolein: Das stabilste C3H4S-Isomere und sein PE-spektroskopischer Nachweis in der Gasphase
作者： Hans Bock , Shamsher Mohmand , Takakuni Hirabayashi , Andrzej Semkow
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摘要: Das Ensemble C3H4S enthalt 13 valenz-„normale” Isomere, unter denen nach MNDO-Berechnungen Thioacrolein, H2CC(H)(H)CS, das energetisch stabilste sein sollte. Erwartungsgemas zerfallt Diallylsulfid bei 660K-Pyrolyse zu Propen und welches sich in einer Ausfrierfalle praparativ als Diels-Alder-Dimerengemisch abfangen last. Erhitzen der isomeren Dimeren fuhrt Retrodien-Spaltung reinem durch dem Acrolein ahnliches PE-Spektrum identifizieren last. Gas Phase Reactions, 30. Thioacrolein: The Most Stable Isomer and its PE Spectroscopic Proof the Gas Phase The ensemble contains valence-„normal” isomers, of which according to MNDO calculations thioacrolein, should be energetically most stable. Expectedly, diallyl sulfide decomposes on pyrolysis at 660 K yield propene can cool-trapped a preparative way as mixture Diels-Alder dimers. Heating isomeric dimers leads retrodiene splitting pure identified by spectrum is similar that acrolein.
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