Dynamics of conformational defects in poly(3-hexyl)thiophene

A model for the electronic torsional interaction in quasi-one-dimensional chains of poly(3-hexyl)thiophene (P3HT) is proposed. The model admits conformational defects like topological solitons. It is shown that the dynamics of these defects can be studied by numerically integrating the corresponding time-dependent equations of motion for the ring torsion angle and the π electrons. The results have indicated that this kind of defect is very massive. The vibrational motion of the rings has suggested an interesting mechanism of charge transfer between torsional solitons. © 1996 The American Physical Society.