Structure-conductivity correlation in organic polymers: An MO approach

321-323The poor electrical conductivity of polyphenylene sulphide (PPS) has been rationalised on the basis of Pariser-Parr-Pople MO method. This approach has been extended to explain the conductivity of polyphenylene oxide (PPO). The change in conductivity of polystilbene by replacing phenylene unit with thiadiazole and thiophene units has been discussed in the light of MO calculation. However, the reported conductivities could not be rationalised on the basis of this simple MO calculation