Helical Induction, Chiroptical Properties, and Quantitative Prediction of the Dissymmetry Factor on the Circularly Polarized Phosphorescence of Iminopyrrolyl Platinum(II) Complexes

Chiral transition metal complexes have attracted significant attention for the development of optoelectrical materials, such as circularly polarized phosphorescence (CPP)-emitting devices. In this paper, we report the helicity induction of d-π-conjugated platinum(II) complexes by the point chirality on 1,2-diaminocyclohexane and their CPP properties. The obtained C2-helical complexes exhibited excellent chiroptical properties with high dissymmetry factors (circular dichroism: gabs = 1.2 × 10–2, CPP: gphos = 3.2 × 10–3). Moreover, we conducted a theoretical investigation of the dissymmetry factor of CPP, gphos,calc, using a kinetic model of triplet state sublevels. The ab initio calculations represented the experimental gphos values, as well as the impact of helical chirality on the CPP.