Semiempirical calculations were performed on complexes of 4-substituted-2,2 ;6 ,2 -terpyridino group III and group IV elements. The energy values obtained for the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were subjected to conditional sequence optimization (LUMO DONOR < LUMO ACCEPTOR and HOMO DONOR < HOMO ACCEPTOR ). The virtual libraries of candidate antennas obtained were subjected to screening to find the structures with the highest drop potential and obtain the lead antennas. Hence, this study demonstrates the application of combinatorial principles in the field of optoelectronics.