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• W2146373287 abstract "The mechanism of the cycloaddition reaction of forming a silicic bis-heterocyclic compound between singlet dimethylmethylenesilylene (Me2C=Si:) and ethene has been investigated with the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that, this reaction has one dominant channel. The presented rule of this dominant channel: the 3p unoccupied orbital of Si in dimethylmethylenesilylene and the π orbital of ethene forming the π→p donor-acceptor bond, resulting in the formation of three-membered ring intermediate (INT1); INT1 then isomerizes to a four-membered ring silylene (P2), which is driven by ring-enlargement effect; due to sp3 hybridization of Si atom in P2, P2 further combines with ethene to form a silicic bis-heterocyclic compound." @default.
• W2146373287 created "2016-06-24" @default.
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• W2146373287 date "2010-10-01" @default.
• W2146373287 modified "2023-09-23" @default.
• W2146373287 title "Ab initioStudy on Mechanism of Forming a Silicic Bis-Heterocyclic Compound Between Dimethylmethylenesilylene and Ethene" @default.
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• W2146373287 doi "https://doi.org/10.1088/1674-0068/23/05/533-537" @default.
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