作者: Per N. Skancke
DOI: 10.1021/J100063A018
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摘要: Energetics and structural aspects of the reaction between F - silacyclopropane (2), silacyclobutane (3), silacyclopentane (4), silaspiropentane (5) have been studied by theoretical calculations. All species included fully geometry optimized at RHF level using a 6-31++G ** basis analytically calculated gradients. Energies MP4(SDTQ) same basis. Predicted fluoride affinities corrected for differences in (unscaled) zero-point energies