Dipole moments and conformational equilibrium in some substituted 1-phenyl-1-fluoro-2-halogenoethanes.
Experimental dipole moments of substituted 1-phenyl-1-fluoro-2-halogenoethanes are compared with the vectorially and the theoretically calculated values using the CNDO/2 method. Results support the existence of a conformational mixture of these compounds as solutes; gauche structures are the prevailing conformations as in the related catecholamines.
D000889:Anti-Arrhythmia Agents; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D006846:Hydrocarbons, Halogenated / Q000032:analysis*; D008968:Molecular Conformation
D000889:Anti-Arrhythmia Agents; D006846:Hydrocarbons, Halogenated