Abstract
The MNDO method gives geometries for the molecular cations of types (SiX 4) +, (SiX 3Y) +, (SiX 2Y 2) + and (SiX 2YZ) + (X, Y, Z = H, F or Cl) which have symmetries in precise accord with the predictions of the Jahn—Teller effect. Ions (SiX 4) + all have D 2d structures, (SiHX 3) + ions have C 3V symmetry and all other (SiX 3Y) + (Y ≠ H) ions have C s symmetry: (SiX 2Y 2) + ions all have C 2V symmetry and (SiX 2YZ) + ions have C s symmetry. The neutral parent molecules have symmetries T d, (SiX 4); C 3V(SiX 3Y); C 2V, (SiX 2Y 2); and C s, (SiX 2YZ). Molecular energies and dimensions, ionisation energies and charge distributions are reported and discussed.
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