The molecular structure of vinyl bromide from gas-phase electron diffraction and microwave data

Abstract

The structure of vinyl bromide ▪ has been determined by a joint analysis of gas-phase electron diffraction data and microwave rotational constants for the parent and nine deuterated species taken from the literature. Assuming a planar structure the following geometric parameters ( r g distances, r av bond angles) were found: CBr = 1.881 ± 0.007 Å, CC = 1.348 ± 0.008 Å, CH av. = 1.10 ± 0.02 Å, ∢ CCBr = 122.8 ± 0.3°, ∢ CCH(4) = 123.1 ± 1.0°, ∢CCH(5) = 120.4 ± 0.7°. The angle CCH(6) was fixed at 120°, a value adopted from vinyl fluoride. Refinement of this angle was hampered by very ill-conditioned normal equations.