Theoretical study of subporphyrins

The manuscript reports the first computational DFT-based characterization of subporphyrins, a novel class of contracted porphyrinoids that might find useful applications in organic optoelectronics. In contrast to other groups of contracted porphyrinoids such as subporphyrazines, tribenzosubporphyrins and subphthalocyanines, these molecules have been neither synthesized nor structurally characterized yet but their existence was recently postulated.