Cl alloying improves thermal stability and increases luminescence in iodine-rich inorganic perovskites.

The inorganic perovskite CsPbI shows promising photophysical properties for a range of potential optoelectronic applications but is metastable at room temperature. To address this, Br can be alloyed into the X-site to create compositions such as CsPbIBr that are stable at room temperature but have bandgaps >1.9 eV - severely limiting solar applications.

Correction: Self-healing mixed matrix membranes containing metal-organic frameworks.

[This corrects the article DOI: 10.1039/D2SC04345A.].

Connecting the dots for fundamental understanding of structure-photophysics-property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism.

Photoactive organic and hybrid organic-inorganic materials such as conjugated polymers, covalent organic frameworks (COFs), metal-organic frameworks (MOFs), and layered perovskites, display intriguing photophysical signatures upon interaction with light. Elucidating structure-photophysics-property relationships across a broad range of functional materials is nontrivial and requires our fundamental understanding of the intricate interplay among excitons (electron-hole pair), polarons (charges), bipolarons, phonons (vibrations), inter-layer stacking interactions, and different forms of structural and conformational defects. In parallel with electronic structure modeling and data-driven science that are actively pursued to successfully accelerate materials discovery, an accurate, computationally inexpensive, and physically-motivated theoretical model, which consistently makes quantitative connections with conceptually complicated experimental observations, is equally important.

Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.

Infections of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have triggered a global pandemic with millions of deaths worldwide. Herein, the synthesis of functionalized Re(i) tricarbonyl complexes as inhibitors of the SARS-CoV-2 main protease, also referred to as the 3-chymotrypsin-like protease (3CL), is presented. The metal complexes were found to inhibit the activity of the enzyme with IC values in the low micromolar range.

Luminescent 1-1,3-benzazaphospholes.

2-R-1-1,3-Benzazaphospholes (R-BAPs) are an interesting class of σP heterocycles containing P[double bond, length as m-dash]C bonds. While closely related 2-R-1,3-benzoxaphospholes (R-BOPs) have been shown to be highly photoluminescent materials depending on specific R substituents, photoluminescence of R-BAPs has been previously limited to an example having a fused carbazole ring system. Here we detail the synthesis and structural characterization of a new R-BAP (3c, R = 2,2'-dithiophene), and compare its photoluminescence against two previously reported R-BAPs (3a, R, R' = Me and 3b, R = 2-thiophene).

Self-healing mixed matrix membranes containing metal-organic frameworks.

Mixed-matrix membranes (MMMs) provide a means to formulate metal-organic frameworks (MOFs) into processable films that can help to advance their use in various applications. Conventional MMMs are inherently susceptible to craze or tear upon exposure to impact, cutting, bending, or stretching, which can limit their intended service life and usage. Herein, a simple, efficient, and scalable fabrication approach was used to prepare self-healing MMMs containing Zr(iv)-based MOFs.

Preferential N-H⋯:C[double bond splayed right] hydrogen bonding involving ditopic -containing systems and -heterocyclic carbenes.

Hydrogen bonding plays a critical role in maintaining order and structure in complex biological and synthetic systems. -heterocyclic carbenes (NHCs) represent one of the most versatile tools in the synthetic chemistry toolbox, yet their potential as neutral carbon hydrogen bond acceptors remains underexplored. This report investigates this capability in a strategic manner, wherein carbene-based hydrogen bonding can be assessed by use of ditopic -containing molecules.