First, we computationally determined the size and shape of singular PII-2T chains to establish a base level understanding of the potential chain conformation and to compare with experimental SAXS measurements. We first estimated the persistence length of the conjugated polymer using an inexpensive computational method demonstrated by Milner and Gomez et al. The dihedral potentials of the polymer repeat unit were calculated using DFT and a large number of conformations were then generated based on the lengths, deflection angles, and dihedral potentials determined by DFT. The average tangent-tangent correlation was then calculated to extract the persistence length. Three unique dihedral potentials were calculated within the PII-2T repeat unit as shown in Figure corresponding to the intra-isoindigo, isoindigo-thiophene, and thiophene-thiophene bonds. The isoindigo-thiophene bond within the repeat unit is also equivalent to the bond connecting adjacent repeat units. The calculated dihedral potentials are shown in Figure . PII-2T chain conformations were then randomly generated based on the dihedral potentials. An example of a 60-mer corresponding to the weight-averaged molecular weight of the polymer is shown in Figure illustrating the semiflexible conformation of the polymer with each red or black segment representing a repeat unit. As shown in Figure , a persistence length of 7.5 nm was extracted from the average tangent-tangent correlation of the random conformations. While there has not been any prior report of the persistence length of PII-2T, the estimated value here is in line with the persistence length of typical D-A polymers and also considering that PII-2T has relatively high torsion as shown by DFT in our previous work .