Studies on the relationship between the structure of P(VDF-HFP) and the transportation of Li⁺

The semi-empirical PM3 methods of quantum chemistry and Ab initio molecular orbital calculation were employed to optimized the geometry structure and electron configuration for the conformations of the four polymer of P(VDF-HFP). It has been found that the plane cis-form is the stable configuration and the cross crans-form exhibit a better stability. By the Mulliken and molecule orbital analysis, the main effect for the transportation of Li⁺ should be attributed by the master carbon chain and the fluorine atoms, fluorin methyl do not have any effect.