Visible Light Electromagnetic Interaction of PM567 Chiral Dye for Asymmetric Photocatalysis, a First-Principles Investigation

In asymmetric photocatalytic reactions, it is necessary to study the mechanism of the asymmetric electromagnetic interaction between molecules and light. In this work, we theoretically studied the electromagnetic interactions between the light-induced charge transfer reaction and the chiral reaction of PM567 dye. We found that the chiral responses of molecules in different wavelength ranges were partially due to pyrromethene and binaphthalene. Therefore, the catalytic sites with different chirality also corresponds to the two-part groups. Through quantitative analysis, we found the entire analysis process to be complete and self-consistent.