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The molecular arrangement of the extremely uniaxial thin film was determined using X-ray analysis, including grazing incidence wide-angle X-ray scattering. The highly oriented film was obtained by depositing a bisazo dye onto an aligned polytetrafluoroethylene (PTFE) layer via vacuum evaporation, as shown previously. The X-ray analysis indicated that the molecules are arranged in parallel or antiparallel orientations within the unit cell. Moreover, their long axes are parallel to each other within the grains which are uniformly oriented throughout the film. These results confirm the driving force of the orientation reported previously using a molecular dynamics model: dye molecules trapped along the atomic grooves between adjacent PTFE chains serve as nuclei for crystal growth. In addition, the long molecular axes remain parallel to the rubbing direction, although some grains are inclined in the short-axis direction. This molecular arrangement in the film could contribute to a high degree of uniaxial orientation. [ABSTRACT FROM AUTHOR]

A coordination network containing isolated pores without interconnecting channels is prepared from a tetrahedral ligand and copper(I) iodide. Despite the lack of accessibility, CO2 is selectively adsorbed into these pores at 298 K and then retained for more than one week while exposed to the atmosphere. The CO2 adsorption energy and diffusion mechanism throughout the network are simulated using Matlantis, which helps to rationalize the experimental results. CO2 enters the isolated voids through transient channels, termed "magic doors", which can momentarily appear within the structure. Once inside the voids, CO2 remains locked in limiting its escape. This mechanism is facilitated by the flexibility of organic ligands and the pivot motion of cluster units. In situ powder X‐ray diffraction revealed that the crystal structure change is negligible before and after CO2 capture, unlike gate‐opening coordination networks. The uncovered CO2 sorption and retention ability paves the way for the design of sorbents based on isolated voids. [ABSTRACT FROM AUTHOR]

Thermoelectric energy harvesters based on p- and n-type organic semiconductors are in high demand, while the air stability of n-type devices has long been a challenge. Here, we demonstrate that supramolecular salt-functionalized n-doped ladder-type conducting polymers exhibit excellent stability in the presence of dry air. [ABSTRACT FROM AUTHOR]

Symmetry is an important factor in material design. Generally, it is difficult to quantitively discuss symmetry-property relations. Two materials only with symmetry differences are requisite to verify whether polar or nonpolar chiral systems are advantageous for a specific property/phenomenon, such as chirality-induced spin selectivity. However, it is difficult to selectively prepare materials having different symmetries without changing other physical properties. The current study successfully prepared seven exceptionally similar crystals with different symmetries in terms of polarity, chirality, and enantiomer alignments, which affords ideal materials for the abovementioned studies. Furthermore, we revealed a universal guiding principle on the self-assembly pattern of bowl-shaped molecules to predict the resultant assembled structures with the help of molecular dynamics simulations., (© 2025 Wiley‐VCH GmbH.)

Amide hydrogenation is an important process for producing amines, with the development of efficient heterogeneous catalysts relying on the creation of bimetallic active sites where the two components interact synergistically. In this study, we develop a method for preparing catalysts using ligand-functionalized organometallic polyoxometalates by synthesizing a Rh-Mo organometallic polyoxometalate, [(RhCp E ) 4 Mo 4 O 16 ] (Cp E = C 5 (CH 3 ) 3 (COOC 2 H 5 ) 2 ), with Rh-O-Mo interfacial structures and ethoxycarbonyl-functionalized ligands as a catalyst precursor. The activity of supported Rh-Mo catalysts for amide hydrogenation depend on the precursor used, with [(RhCp E ) 4 Mo 4 O 16 ] showing the highest activity, followed by [(RhCp*) 4 Mo 4 O 16 ] (Cp* = C 5 (CH 3 ) 5 ), and then RhCl 3 combined with (NH 4 ) 6 [Mo 7 O 24 ]·4H 2 O. The catalyst prepared from [(RhCp E ) 4 Mo 4 O 16 ] effectively hydrogenates tertiary, secondary, and primary amides under mild conditions (0.8 MPa H 2 , 353-393 K), demonstrating a high activity and selectivity (conversion: 97%, selectivity: 76%) for primary amide hydrogenation under NH 3 -free conditions. Furthermore, we determine that carbonyl oxygen atoms in Cp E ligands contribute to the electrostatic interaction with Al 2 O 3 , leading to the high dispersibility of [(RhCp E ) 4 Mo 4 O 16 ] on the support. We conclude that the high efficiency of [(RhCp E ) 4 Mo 4 O 16 ] as a catalyst precursor originates from the effective formation of Rh/Mo interfacial active sites, which is assisted by the electrostatic interaction between the Cp E ligands and support., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

The backbone shape of semiconducting polymers strongly affects their electronic properties and morphologies in films, yet the conventional design principle for building blocks focuses on using linear main chains to maintain high crystallinity. Here, we developed a V-shaped unit, triphenyleno[1,2- c :7,8- c ']bis([1,2,5]thiadiazole) (TPTz), featuring two 1,2,5-thiadiazole rings fused to a triphenylene core with strong electron-withdrawing properties and an extended conjugation plane. We used TPTz to prepare a highly soluble copolymer, PTPTz-indacenodithiophene (IDT), which exhibited a wide bandgap of 1.94 eV and energy levels suitable for the donor polymer in organic solar cells (OSCs) in combination with non-fullerene acceptors. Despite the amorphous nature of the polymer film, single-junction OSCs with PTPTz-IDT:Y6 as the active layer achieved a power conversion efficiency of 10.4% ( J SC = 19.8 mA cm -2 ; V OC = 0.80 V; fill factor = 0.66), which is the highest value reported for a single-junction OSC with IDT-based donor polymers. This work demonstrates that TPTz is a promising electron-acceptor unit for developing functional polymers with zigzag structures.