The Molecular Structure of (Dichloromethyl)-trichlorosilane

Abstract

Abstract The molecular structure of (dichloromethyl)-trichlorosilane has been determined by gas phase electron diffraction. It has been found that the effective structure of the molecule has C1-symmetry with an angle of rotation τ and a tilt angle ψ of the SiCl3-group. Several vibrational amplitudes were fixed at values calculated from transferred Urey-Bradly force constants. Systematic errors resulting from the uncertainties of the fixed parameters have been calculated applying the rules of error propagation. The most important structural parameters (rg in Å, angles in degrees) are: r(Si-C) = 1.905(10), r(Si-Cl) = 2.019(1), r(C-Cl) = 1.774(4), r(C-H) = 1.16(4), ∢ (C-Si-Cl) = 109.8(3), ∢(Si-C-Cl) = 111.4(8), ψ= 4.1(1.0), τ= 6.7(1.4) (the errors in parenthesis include the systematic contributions). Comparison is made with structural data of other representatives of the series CH3-mClmSiCl3 (m = 0, 1, 2, 3).