Abstract

The potential surface for the system F - +H 3 SiCHO has been studied using a 6-31++G ** basis. Complete geometry optimizations using analytical gradients have been carried through for all species involved. All stationary points have been characterized by analytically calculated force constant matrices using the same basis. Energies were calculated at the MP4(SDTQ)/6-31++G ** //RHF/6-31++G ** level. Relative energies have been corrected for differences in ZPE. The initially formed adduct (FH 3 Si-CHO) - is found to have an energy of -50.5 kcal/mol relative to the reactants and is formed without a barrier from F - and formylsilane

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