Dataset of Theoretical MEP, HOMO-LUMO Band gap and Experimental Cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers

All raw data are experimental Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital (HOMO – LUMO) from Gaussian 09 software are also included. In addition, the experimental Cole-cole plot was measured by Electrical Impedance Spectroscopy (EIS) using HIOKI 3532-50 LCR Hi-Tester interfaced to a computer. All data are important in conductivity interpretation.

本数据集的全部原始数据均涵盖由高斯09（Gaussian 09）软件计算得到的实验性分子静电势（Molecular Electrostatic Potential, MEP）与最高占据分子轨道-最低未占据分子轨道（Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital, HOMO – LUMO）相关结果。此外，实验科尔-科尔图（Cole-cole plot）通过连接计算机的日置（HIOKI）3532-50型LCR Hi-Tester测试仪，采用电化学阻抗谱（Electrical Impedance Spectroscopy, EIS）方法测得。所有数据均对电导率的机理阐释具有重要价值。