Molecular conformation of mono- and bi-cyclic derivatives. Part 6. Theoretical and experimental study of derivatives with a seven-membered ring

Abstract

The electronic polarizations, dipole moments, and molar Kerr constants of cycloheptene, bicyclo[5.1.0]octane, cycloheptene oxide, and some of their oxa derivatives in carbon tetrachloride at 298 K are recorded. The conformational geometries have been studied by the molecular mechanics method. The theoretical results are compared with the experimental data in order to determine the preferred solution-state molecular conformations. The electron mobility as measured from the refractivity and polarizability exaltations is also discussed.