Coulomb effects on the 13C-NMR and ESR in polyacetylene

Abstract The line shapes of the 13 C-NMR of doped polyacetylane and the ESR of undoped one are calculated using the charged and neutral solitons obtained in the PPP model which includes not only the on-site but also different site Coulomb interactions. The broad asymmetric line shape of the 13 C-NMR can be explained as due to the alternating charge density cloud in a charged soliton which is generated by the different site Coulomb interaction. The PPP model also gives a better explanation of the ESR line shape than the SSH model.