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

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 ca lculations indicate that the equilibrium structure has C-3 symmetry. The mo st important bond distances are (GED/HF-MO); Ge-C = 199.5(10)/193.6 pm, Ge- Br (mean) = 228.1(2)/228.0 pm, and valence angles <GeCGe = 115.3(3)/113.3 d egrees and <CGeBr (mean) = 111.4(3)/110.8 degrees. The GeBr3 groups are rot ated 31.8(6)/22.4 degrees away from the staggered orientation. (C) 1999 Els evier Science B.V. All rights reserved.