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Theoretical Study of Iridium-based PDT Photosensitizers for Improving Two-Photon Absorption, Triplet Lifetime and Lipophilicity through Ligand Tuning

physics.chem-ph · 2026-05-07 · unverdicted · novelty 4.0

Ligand tuning via asymmetric iso-fused-benzene ring modification on the N^N ligand in iridium complexes enhances TPA cross-sections, triplet lifetimes, and balanced solubility, with a2, b2, and b1-r identified as promising two-photon PDT candidates that can operate via both Type I and Type II paths.

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