One-pot synthetic method was adopted to prepare three isomers 4-(
ortho-
fluorophenyl)thiosemi- carbazide), 4-(
meta-
fluorophenyl)thiosemicarbazide and 4-(
para-
fluorophenyl)thiosemicarbazide. The products were obtained in ethanolic solution from a reaction between
ortho, meta
and
para
derivatives of fluorophenyl isothiocyanate and hydrazine hydrate. This work presents the theoretical Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) computational data through Gaussview 5.0.9 and Gaussian09 software. Experimental Cole-cole plot for conductivity determination was also illustrated. The present data is important to manipulate the properties of compounds according to the position of a fluorine atom.
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