Molecular structure of CH(GeBr3)3 determined by gas electron diffraction and ab initio calculations: steric congestion in tri- and tetra-germylmethanes

Abstract

The molecular structure of CH(GeBr3)3 has been determined by gas electron diffraction (GED) and ab initio calculation at the HF/6-31G∗ level. The calculations indicate that the equilibrium structure has C3 symmetry. The most important bond distances are (GED/HF-MO); Ge–C=199.5(10)/193.6pm, Ge–Br (mean)=228.1(2)/228.0pm, and valence angles <GeCGe=115.3(3)/113.3° and <CGeBr (mean)=111.4(3)/110.8°. The GeBr3 groups are rotated 31.8(6)/22.4° away from the staggered orientation.