Conformational preferences of Criegee intermediates Isopropyl substituted carbonyl oxide

Abstract : Three conformers of the isopropyl-substituted Criegee intermediate, (CH3)(2) CHCHOO, have been observed by Fourier transform microwave spectroscopy. The transient species was produced using a pulsed electric discharge of a gas mixture of 1,1-diiodo-2-methylpropane/O-2 diluted in Ar or Ne. The use of different carrier gases in the supersonic expansion reveals the difference of the collisional relaxation process between anti-conformers. The conformational relaxation pathways have been investigated theoretically and are presented as well. In light of these results, the previous study on the ethyl-substituted Criegee intermediate, where the absence of one of the four possible conformers was associated with collisional relaxation processes, has been re-examined. Here we report the detection of a new conformer of the ethyl-substituted Criegee intermediate observed using Ne as the seeding gas. Published by AIP Publishing.
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Submitted on : Monday, September 24, 2018 - 12:01:42 PM
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Carlos Cabezas, Jean-Claude Guillemin, Yasuki Endo. Conformational preferences of Criegee intermediates Isopropyl substituted carbonyl oxide. Journal of Chemical Physics, American Institute of Physics, 2018, 149 (8), pp.10.1063/1.5045768. ⟨10.1063/1.5045768⟩. ⟨hal-01879775⟩

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