The mechanism of the cycloaddition reaction between singlet Cl2Ge=Si: and ethylene has been investigated with the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that the reaction has a dominant reaction pathway. The presented rule of the dominant reaction pathway is that the [2+2] cycloaddition effect of the two reactants leads to the formation of a four-membered Ge-heterocyclic ring silylene. Due to sp3 hybridization of the Si: atom in the four-membered Ge-heterocyclic ring silylene, the four-membered Ge-heterocyclic ring silylene further reacts with ethylene to form a spiro-Si-heterocyclic ring compound involving Ge.
Research on Chemical Intermediates – Springer Journals
Published: Dec 9, 2012
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