Molecular structure of 1,10-dicarba-closo-decaborane(10), 1,10-C2B8H10, by gas-phase electron diffraction

The molecular structure of the title compound has been determined by gas-phase electron diffraction, assuming that the C₂B₈ unit has the form of a bicapped square antiprism (D_4d symmetry). The amplitudes of vibration and the shrinkage corrections were calculated from the force field transferred mainly from 1,6-C₂B₄H₆. The molecular parameters (r_g, φ_α) and uncertainties (3σ) are: B-C = 1.602(2), B2-B3 (basal) = 1.850(5), B2-B6 (equatorial) = 1.829(4), B-H = 1.164(14), C-H = 1.14(2) and ∠C-B-H = 117.5(1.8)°. Comparisons are made with structural data for other carboranes studied in the gas phase.     

Electron diffraction determination of the vapour phase molecular structure of azetidine, (CH2)3NH

The electron diffraction study of azetidine yielded the following main geometrical parameters (r_a structure): dihedral angle (the angle between the C-C-C and C-N-C planes) φ = 33.1 ± 2.4°, r(C-N) = 1.482 ± 0.006Å, r(C-C) = 1.553 ± 0.009Å, r(C-H) = 1.107 ± 0.003Å, ∠C-N-C = 92.2 ± 0.4°, ∠C-C-C = 86.9 ± 0.4° and ∠C-C-N = 85.8 ± 0.4°.     

Dedication

Structural Chemistry -