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 prevail...

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Bibliographic Details
Published inJournal of pharmaceutical sciences Vol. 73; no. 8; p. 1164
Main Authors Charlon, C, Galy, A M, Luu Duc, C, Barbe, J
Format Journal Article
LanguageEnglish
Published United States 01.08.1984
Subjects
Anti-Arrhythmia Agents
Chemical Phenomena
Chemistry, Physical
Hydrocarbons, Halogenated - analysis
Molecular Conformation
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Summary: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.
ISSN:0022-3549
1520-6017
DOI:10.1002/jps.2600730836