Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers

Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers

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 fl...

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Bibliographic Details
Main Authors: Sharmili Silvarajoo, Uwaisulqarni M. Osman, Khadijah H. Kamarudin, Mohd Hasmizam Razali, Hanis Mohd Yusoff, Irshad Ul Haq Bhat, Mohd Zul Helmi Rozaini, Yusnita Juahir
Format: Article
Language:English
Published: Elsevier 2020-10-01
Series:Data in Brief
Subjects:
Thiosemicarbazide
DFT
Isomers
Cole-cole plot
Conductivity
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340920311938

Internet

http://www.sciencedirect.com/science/article/pii/S2352340920311938

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