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Dipole moments and conformational equilibrium in some substituted 1-phenyl-1-fluoro-2-halogenoethanes
Journal of Pharmaceutical Sciences
|August 1, 1984
Abstract:
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.