Highly Stable Near-Infrared II Luminescent Diradicaloids for Cancer Phototheranostics

Near-infrared II (NIR-II) phototheranostic agents have become prominent agents for the early diagnosis and precise treatment of cancer. Organic open-shell diradicaloids with distinct structure and narrow band gap are promising candidates for phototherapeutic agents due to their strong spin-coupling effect and NIR light-harvesting capacity. However, achieving stable and efficient NIR-II luminescent diradicaloids is crucial yet rather challenging considering their high chemical reactivity and self-absorption. Herein, two highly stable NIR-II luminescent diradicaloids, 2PhNVDPP and PhNVDPP, were successfully fabricated by employing an acceptor planarization/π-conjugation extension and donor rotation strategy. After encapsulation into water-dispersible nanoparticles (NPs), 2PhNVDPP NPs exhibit NIR-II luminescence, high PCE of 53%, and improved photo/heat stability. <i>In vivo</i> experiments with 2PhNVDPP NPs demonstrated the clear visualization of blood vessels and tumors, as well as the successful NIR-II imaging-guided photothermal ablation of tumors. This study not only develops a pioneering stable diradicaloid phototherapeutic agent with NIR-II luminescence but also provides a unique perspective for the effectiveness of multimodal anticancer therapy.