Possibilities for tuning electronic and optical properties of oligophenylenes by selected chemical influences

Using semi-empirical quantum mechanic and ab initio Hartree-Fock (HF) calculations, we investigated changes induced by doping and addition of side-atoms and groups of P2P-P6P oligophenylenes structure, electronic and optical properties. The results are compared to the existing experimental data and results of similar calculations, and the possible implications for the oligophenylenes-based materials applications have been discussed.