%0 Journal Article %T Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds %J Physical Chemistry Research %I Iranian Chemical Society %Z 2322-5521 %A Oftadeh, Mohsen %A Jamalian, Behnaz %D 2019 %\ 06/01/2019 %V 7 %N 2 %P 261-270 %! Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds %K Bithiophene %K Polarizability %K Refractive index %K Lorentz-Lorentz equation %R 10.22036/pcr.2019.153511.1552 %X In order to study the variation of electronic properties, a set of bithiophene derivatives has been ‎developed. Here, the effect of substitution on the aromaticity properties of some cyclic ‎bithiophene derivative compounds was investigated using theoretical calculations. Calculations ‎were performed at B3LYP/6-31+G (d,p) level; and calculated properties included energy, dipole ‎moment, total charge on sulfur atom, energy gap, hardness and dipole polarizability. ‎Experimental polarizability values were comparable with the theoretical values. Theoretical ‎refractive indices were obtained using average polarizability in Lorentz-Lorentz equation. The ‎results of comparison between theoretical and experimental refractive indices demonstrated that ‎the scaling factors for refractive index and polarizability were 0.99-1.14 and 0.98-1.28, ‎respectively. ‎ %U https://www.physchemres.org/article_82732_cb9dc6174cd69a2e7131113983849728.pdf