Abstract
In this study, we harness optical modulation techniques to tailor an auxiliary ligand, thereby optimizing the photophysical behavior of cyclometalated iridium (III) complexes, Ir–B and Ir-Q, for enhanced reactive oxygen species (ROS) generation. Intriguingly, the optical properties of Ir-Q's auxiliary ligands instigate a non-radiative intersystem crossover process, yielding a superior singlet oxygen (1O2) quantum efficiency of 0.92. Further, Ir-Q's robust multi-photon absorption spectra, particularly in the Two-photon (750–800 nm) and Three-photon (1350–1600 nm) domains, open avenues for potential applications in two-photon imaging-guided photodynamic therapy targeting deep-seated tumors. This investigation underscores the pivotal role of optical structure modulation in amplifying the therapeutic potential of the iridium(III) complex, particularly in the realm of near-infrared photodynamic therapy.
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