The Theoretical Study of the Polarizability and Relevant Property of Polyacetylene

In this paper, we used the quantum chemistry method introduced the external electric field perturbation, to calculate the varying rule about the polarizability magnitudes of the polyacetylene and hexatriene isomers, respectively. the results was following: transisomer ＞ cis-trans isomer＞trans-cis isomer for both. We inferred from these results that the magnitudes of intermolecular Van der Waals force and the dielectric Constances of these isomers would have same varying rule.