The effect of donors–acceptors on the charge transfer properties and tuning of emitting color for thiophene, pyrimidine and oligoacene based compounds.

Highlights: [•] ICT has been improved by introducing the bridge, donor and acceptor moieties. [•] Electronic, optical and charge transport properties have been tuned. [•] DFT and TDDFT have been applied to predict the properties. [•] The IP, EA, reorganization energies and FMOs have been discussed thoroughly. [Copyright &y& Elsevier]