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84988768790
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The reactions were performed in a multi-mode microwave oven, ETHOS 1600 from Milestone, Italy.
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33
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84988751362
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+, one negative eigenvalue was found and shown to be a transition state for rotation of a methyl group). All quantum-mechanical calculations were performed in vacuo since the software does note allow for the important frequency analyses to verify located transition states when a solvent is included.
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34
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84986437005
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http://www.schrodinger.com/ Schrönger (Portland, OR, USA), 2003.
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41
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84988751381
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note
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Located by coordinate driving of the carbon-silicon bond followed by a full refinement, see ref. 29.
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84988768419
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note
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For all transition states 25A-H, elongation of either C2-C3 or C5-C6 by 0.05 Å followed by an energy minimization (trust radius 0.1) led to structures very similar to reactants 24A-H or rearranged intermediates 26A-H, respectively, and thus no carbocationic intermediates were verified.
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47
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84988791906
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note
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Acyclic (E)-vinylsilanes have also been shown experimentally to cyclize readily with formaldehyde, see ref. 10.
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