Emergent Properties from Hybridization of Conjugated Organic-Inorganic Semiconductor (H-COINS) Halides

The organic spacers in this project will be molecules with extensive conjugated Pi systems. To enable the various class types shown in Fig. 2, we will select suitable molecules whose HOMO, LUMO gaps and energy levels are tunable based on the extent of Pi conjugation and the substituents on the carbon backbone. The molecules shown in Fig. 3 below are attractive starting points with additional derivatives to be synthesized as shown by the X groups, which will further tune the electronic structure. The presence of aromatic nitrogen in these molecules significantly lowers the LUMO level compared to the unsubstituted benzene ring. Furthermore, substituents on the aromatic ring periphery can fine-tune the LUMO and HOMO energy higher or lower depending on their electronegativity and electron-withdrawing or donating ability. We do not anticipate significant synthetic challenges in the organic synthesis of these molecules.