Lattice Modulation on Singlet-Triplet Splitting of Silver Cluster Boosting Near-Unity Photoluminescence Quantum Yield.

Developing thermally activated delayed fluorescence (TADF)-active silver clusters with near-unity quantum efficiency is of practical importance in cutting-edge optoelectronic devices, but remains a tremendous challenge due to the difficulty of de novo synthesis and uncertainty of properties. Herein, we demonstrate a lattice modulation on parent TADF- active silver cluster, achieving TADF-driven photoluminescence quantum yield (PLQY) from 12 % to near-unity. Systematic experimental and calculated results reveal that the lattice modulation effectively lowers the singlet-triplet splitting (ΔE) from 718 to 549 cm, thereby facilitating thermally activated reverse intersystem crossing: T→S, leading to extremely efficient TADF by surpassing both phosphorescence and non-radiative decay, thus boosting the near-unity PLQY.

Computational Investigation of Meso-Substituted, Heavy Atom-Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics Studies.

This study investigates the structural and electronic properties of BODIPY (BDP) derivatives featuring meso-substituted donors arranged orthogonally, leveraging Time-Dependent Density Functional Theory (TD-DFT). These deriva-tives, selected based on experimental evidence of their quantum yield towards singlet oxygen generation, exhibit intricate excited-state dynamics, transitioning from fluorescence to intersystem crossing (ISC), thereby presenting a promising avenue for applications in photodynamic therapy. Emphasizing heavy-atom-free organic triplet photosensitizers, with BDP dyes highlighted for their exceptional adaptability in photophysical characteristics, our analysis contributes to a deeper understanding of the fundamental design principles governing such photosensitizers.

Rh(III)-Catalyzed Chemoselective [4 + 2] Annulations for the Synthesis of [1,3]Oxazinoindolones: A Combined Experimental and Computational Study.

The interaction of -alkoxy-1-indole-1-carboxamides with transition metals leads to indole-fused heterocyclic scaffolds through directing group leaving/migration, [3 + 2], N-C2 [4 + 1], and [4 + 2] annulations. However, the corresponding O-C2 [4 + 2] annulation reactions have never been reported. Herein, we report the chemoselective annulation of -alkoxy-1-indole-1-carboxamides catalyzed by Rh(III), affording [1,3]oxazinoindolones through a hitherto unknown reaction pathway.

Microplastics and heavy metal contamination along a land-use gradient in a Himalayan foothill river: Prevalence and controlling factors.

The co-occurrence of microplastics (MPs) and heavy metals in aquatic systems has raised significant concerns, yet their relationship in freshwater ecosystems remains poorly understood. This study aims to evaluate the prevalence of MPs and factors controlling their distribution in both water and sediment in the Markanda River, Northwest India. MPs were extracted from sediment and water samples using density separation and classified through fluorescence microscopy and Raman spectroscopy.