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This paper reports that cis-TPE dicycles emit strong fluorescence, while the gem dicycles show almost no emission in solution, demonstrating that the free rotation restriction of the double bond at the excited state is the key factor for AIE effects.
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http://dx.doi.org/10.1021/acs.orglett.7b03662 | DOI Listing |
ACS Appl Mater Interfaces
September 2025
Instituto de Cerámica y Vidrio (ICV-CSIC), C/Kelsen 5, 28049 Madrid, Spain.
The oxygen reduction reaction (ORR) is critical to energy conversion technologies and requires efficient catalysts for superior performance. Herein, nitrogen-doped carbide-derived carbon (N-CDC) catalysts are prepared using novel engineered molecular architectures based on polymer-derived ceramic technology. The obtained catalyst materials show a surface N concentration of >5 wt % and a hierarchically porous structure, resulting in a specific surface area of over 2000 m g.
View Article and Find Full Text PDFSci Technol Adv Mater
September 2025
Research Center for Electronic and Optical Materials, National Institute for Materials Science, Tsukuba, Japan.
The planar and lateral HCl-gas etching behavior of (001) β-GaO under oxygen supply were investigated at partial pressures of (O) = 0-2.5 kPa and 645-1038°C, while maintaining a constant HCl supply partial pressure of (HCl) at 63 Pa. At 747°C, the planar etch rate (PER) exhibited a slight decrease with increasing (O).
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
Department of Chemistry and Sustainable Technology, University of Eastern Finland, Joensuu Campus, Yliopistokatu 7, FI-80100, Joensuu, Finland.
Accurate thermodynamic calculations for aluminum alkyls require proper treatment of low-frequency vibrations poorly described by the harmonic approximation (HA). Here, we present a systematic investigation of hindered rotation and out-of-plane bending in aluminum trichloride (ATC) and its methyl derivatives, employing advanced computational methods to perform anharmonic entropy corrections, such as torsional eigenvalue summation (TES), the extended two-dimensional torsion method (E2DT), the multi-structural approximation with torsional anharmonicity (MS-T), and Fourier grid Hamiltonian (FGH). Our results reveal distinct structure-dependent behaviors: monomers exhibit near-free methyl rotations where the HA overestimates entropy by 20-30 J K mol, while dimers show more hindered rotations adequately described by the HA around room temperature.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Department of Chemistry, Xinzhou Normal University, 1 East Dunqi Street, Xinzhou 034000, Shanxi, People's Republic of China.
This work introduces the novel anionic cluster BSiZn as the smallest molecular "compass", featuring a unique two-layered architecture with a planar pentacoordinate boron (ppB) center. The cluster comprises a quasi-planar BSi stator─a silicon-based analogue of borozene with σ/π double aromaticity (6π + 10σ delocalized electrons)─and a Zn rotor dimer. High-level calculations (CCSD(T)//PBE0-D3) reveal an ultralow rotational barrier of 0.
View Article and Find Full Text PDFJ Dairy Sci
September 2025
Faculty of Agricultural, Environmental and Food Sciences, Free University of Bolzano, 39100 Bolzano, Italy. Electronic address:
The European Union makes a significant contribution to the global dairy industry, producing an estimated 160.8 million tons of milk in 2023, which accounts for more than 20% of the world's total milk production. However, the sector faces increasing pressure to align with sustainability goals amid economic constraints, environmental degradation, climate change, and evolving societal expectations.
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