Molecular structure of propargylgermane (2-propynylgermane) determined by gas-phase electron diffraction and quantum chemical calculations

The molecular structure of propargylgermane, HCbCCH2GeH3, has been determined by gas-phase electron diffraction. The electrondiffraction investigation has been supported by density functional theory and ab initio calculations. The ra value of the bond lengths (pm) are: r(C–Ge)Z197.2(1); r(C–C)Z143.9(2); r(CbC)Z123.1(1); r(H–Cacetylene)Z108.5(3); r(C–H)Z111.6(3) and r(Ge–Haverage)Z153.7(2). The Ge–C–C angle is 111.7(1)8 and the C–CbC angle is 178.3(4)8. The uncertainties are one standard deviation from the least-squares refinement. q 2005 Elsevier B.V. All rights reserved.