2011
DOI: 10.1002/cjoc.201100127
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Theoretical Study of the Mechanism of Cycloaddition Reaction between Silylene Silylene (H2SiSi:) and Acetone

Abstract: The mechanism of the cycloaddition reaction between singlet silylene silylene (H2SiSi:) and acetone has been investigated with the CCSD (T)//MP2/6‐31G∗︁ method. According to the potential energy profile, it can be predicted that the reaction has two competitive dominant reaction channels. The present rule of this reaction is that the [2+2] cycloaddition reaction of the two π‐bonds in silylene silylene (H2SiSi:) and acetone leads to the formation of a four‐membered ring silylene (E3). Because of the unsaturat… Show more

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