Gas phase structure of diiodosilane SiH2I2

Abstract

The molecular structure of diiodosilane has been determined by gas electron diffraction. Assuming C2v symmetry, only the S-I bond length (2.423(3) Å) and the I-Si-I bond angle (110.8(4)°) could be determined accurately in this experiment. The experimental geometric parameters and vibrational frequencies which were reported earlier are compared to calculated values derived with the HF approximation and DFT methods (B3LYP and SVWN) using 3-21G* basis sets and effective core potentials.