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- W2080493940 abstract "The mechanism and potential energy surface of the addition reactions of MeOH, PhOH and PhSH to some silastannenes were investigated by using density functional theory (DFT) calculations. The influences of the number of MeOH or PhOH molecule, some substituents at Si or Sn atoms, and benzene as a solvent on the energy surface of the reactions were also explored. The obtained results indicate that most studied reactions consist of a two-step mechanism via a Lewis adduct and the initial step of the reactions is a nucleophilic or electrophilic attack of MeOH, PhOH or PhSH. The formation of SiO(S) or SnO(S) bond is prior to that of SnH or SiH bond in all studied reactions. The monomer of PhOH adds to silastannenes more readily than the corresponding dimer and trimer kinetically. The computational results explain the experimentally observed regioselectivity well." @default.
- W2080493940 created "2016-06-24" @default.
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- W2080493940 date "2015-04-01" @default.
- W2080493940 modified "2023-10-16" @default.
- W2080493940 title "Theoretical study on the addition reactions of MeOH, PhOH and PhSH to silastannenes" @default.
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- W2080493940 doi "https://doi.org/10.1016/j.comptc.2015.01.011" @default.
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