Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown
Published: May 27, 2025
Abstract Noncovalent interactions (NCIs) play a pivotal role in tuning the photophysical properties of functional materials, yet their potential optimizing photosensitizers remains underexplored. In this study, molecular design strategy is presented that integrates sulfur‐π (S‐π) with aggregation‐induced emission (AIE) to enhance performance near‐infrared II (NIR‐II) for biomedical applications. Unlike conventional π‐π stacking, which often leads aggregation‐caused quenching (ACQ), S‐π provide directional packing without significant fluorescence quenching. Four AIE molecules (P‐THX, T‐THX, TP‐THX, and TT‐THX) are synthesized systematic phenyl‐to‐thiophene substitution modulate precisely. These lower singlet‐triplet energy gap (Δ E ST ), extend π‐conjugation, facilitate intersystem crossing (ISC), thereby boosting generation reactive oxygen species (ROS). Single‐crystal analysis revealed create continuous electronic coupling networks advantages over stacking arrangements. The thiophene‐substituted TT‐THX exhibits superior properties, demonstrating potent photodynamic antibacterial activity against Staphylococcus aureus ( S. ) methicillin‐resistant (MRSA). When formulated as nanoparticles, enables effective wound healing, underscoring therapeutic interaction‐engineered photosensitizers. This study establishes new paradigm, unlocking advanced NIR‐II phototheranostics strategies promising applications infection treatment, cancer therapy, biosensing.
Language: Английский