Ground States of Molecules. XXIX. MINDO/3 Calculations of Compounds Containing Third Row Elements.

摘要

MINDO/3 calculations are reported for a variety of neutral molecules and positive ions containing the third row elements Si, P, or S. The calculated heats of formation, molecular geometries, and ionization potentials are in satisfactory agreement with experiment. Estimates of the Pi bond energies of multiple bonds involving silicon, and of the resonance energies of silabenzenes, are reported. Proton affinitives of analogous compounds of second and third row compounds are compared. (Author)