Theoretical Calculations and Modeling for the Molecular Polarization of Furan and Thiophene under the Action of an Electric Field Using Quantum Similarity

Table 2

Induced molecular polarity index proposed for the thiophene and furan (𝑃_kA) as function of the induced molecular polarity of cyclopentadienyl (𝑃_kA), proposed in this study.

Induced molecular polarity index for 𝑃kA
2.994 𝑃kA^a,b	196.350 𝑃kA^a,c	0.972 𝑃^dkA	0.997 𝑃^ekA	0.410 𝑃^fkA	0.966 𝑃^dkA
3.441 𝑃kA	211.863 𝑃kA	0.912 𝑃kA	0.991 𝑃kA	0.871 𝑃kA	2.009 𝑃kA

aAnalytical method.
^bInteraction of overlap.
^cInteraction of coulomb.
^dLocal similarity index of overlap (see Appendix C).
^eLocal similarity index of coulomb (see Appendix C).
^fEuclidean distance of overlap.
^dEuclidean distance of coulomb.
𝑃_kA: (7) with respect to the polarization states (Appendix B).
Note: k is the quantum state (Appendix A).