Q. Shen
Sep 1, 1985
Citations
0
Influential Citations
10
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure of gaseous epichlorohydrin has been investigated using electron diffraction data obtained at 67°C. The conformational composition at this temperature is such that the molecules exist predominantly in a gauche -2 conformer (where the CCl bond is 160° away from the CO) bond). Refinements showed that 33% (σ = 4) of the molecule exist in the gauche -1 form. The important distances ( r g ) and angle (∠α) with the associated uncertainties are r (CH) = 1.095(5) A, r (CO) = 1.442(3) A, r (CC) = 1.475(8) A, r (CC M ) = 1.523(7) A, r (CCl) = 1.788(2) A, ∠CCO = 114° (1), ∠CCC M = 119°(1), ∠ClCC = 108.9° (7), and Tau(ClCCO) = −150°(10) ( gauche -2) and Tau(ClCCO) = 78° (10) ( gauche -1).