AM1 STUDIES OF PHOTOELECTRON-SPECTRA - 10 - (ACETYLTHIOMETHYL)TRIFLUOROSILANES AND (BENZOYLTHIOMETHYL)TRIFLUOROSILANES

Five ionization potentials for the sp,ac and sp,sp conformers of (acet ylthiomethyl)trifluorosilane MeC(O)SCH2SiF3 and six ionization potenti als for the same conformers of (benzoylthiomethyl)trifluorosilane PhC( O)CH2SiF3 were calculated by the semiempirical AM1 method. The resulti ng values are in good agreement with the data of photoelectron spectro scopy only for the sp,ac conformers. The structure of the preferred co nformer of (acetylthiomethyl)trifluorosilane was confirmed by measurem ent of its dipole moment in the gas phase. The influence of the long-r ange inductive effect (field effect) on the energy of nonbonding elect rons of the carbonyl oxygen atom in the series of acetic acid derivati ves was observed.