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Negative linear compressibility and structural stability of the energetic material -hexanitrostilbene under pressure.
Phys Chem Chem Phys
January 2025
School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 611731, Sichuan, China.
The structural stability of the energetic material 2,2',4,4',6,6'-hexanitrostilbene (-HNS) under high pressure is critical for optimizing its detonation performance and low sensitivity. However, its structural response to external pressure has not been sufficiently investigated. In this study, high-pressure single-crystal X-ray diffraction data of -HNS demonstrate that the sample exhibits pronounced anisotropic strain, demonstrating an unusual negative linear compressibility (NLC) along the axis, with a coefficient of -4.
View Article and Find Full Text PDFSynthesis, Structural Analysis, and Antibacterial Properties of a Novel β-Aminoenone.
Chem Biodivers
January 2025
Universidad Nacional de Tucuman Facultad de Bioquimica Quimica y Farmacia, Chemistry, Av. Kirchner 1900, 4000, San Miguel de Tucumán, ARGENTINA.
(Z)-3-butylamino-4,4,4-trifluoro-1-(2-hydroxyphenyl)but-2-en-1-one (1), a new β-aminoenone, has been investigated in terms of its intra- and intermolecular interactions. Vibrational, electronic and NMR spectroscopies were used for the characterization, while X-ray diffraction methods afforded the determination of the crystal structure. The compound is arranged in the crystal lattice as centre-symmetric H-bonded dimeric aggregates (C2/c monoclinic space group).
View Article and Find Full Text PDFFullerene-Doped Poly(ionic liquids) as Small Molecular Gas Sensors-Control of Intermolecular Interactions.
ACS Omega
January 2025
Department of Functional Materials, FZU - Institute of Physics - Czech Academy of Sciences, Na Slovance 1999/2, Prague 8 182 00, Czech Republic.
Here, we investigate the interactions between five representative gaseous analytes and two poly(ionic liquids) (PILs) based on the sulfopropyl acrylate polyanion in combination with the alkylphosphonium cations, P and P, and their nanocomposites with fullerenes (C, C) to reveal the potential of PILs as sensitive layers for gas sensors. The gaseous analytes were chosen based on their molecular size (all of them containing two carbon atoms) and variation of functional groups: alcohol (ethanol), nitrile (acetonitrile), aldehyde (acetaldehyde), halogenated alkane (bromoethane), and carboxylic acid (acetic acid). The six variations of PILs-PSPA (), PSPA + C ( + C), PSPA + C ( + C), and PSPA (), PSPA + C ( + C), PSPA + C ( + C)-were characterized by UV-vis and Raman spectroscopy, and their interactions with each gaseous analyte were studied using electrochemical impedance spectroscopy.
View Article and Find Full Text PDFVibron Softening of Solid Hydrogen under Nanoconfinement.
Nano Lett
January 2025
Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, P. R. China.
The vibron behavior of hydrogen bears significant importance for understanding the phases of solid hydrogen under high pressure. In this work, we reveal an unusual high-pressure behavior of hydrogen confined within nanopores through a combination of experimental measurements and theoretical calculations. The nanoconfined hydrogen molecules retain an hcp lattice up to 170 GPa, yet significant deviations from the vibrational characteristics of bulk hydrogen are observed in the primary vibrons of both Raman and infrared spectra.
View Article and Find Full Text PDFImpact of the Acceptor Group on the Properties of Triphenylamine-Donor-Acceptor Dyes: An Experimental and Computational Study.
J Phys Chem A
January 2025
Department of Chemistry and Dodd Walls Centre, University of Otago, Dunedin 9016, New Zealand.
Three triphenylamine-Indane donor-acceptor dyes with different functional groups on the acceptor were studied to investigate how substitution would affect the optical properties. The dyes studied were IndCN, containing two malononitrile groups; InO, with two ketone groups; and InOCN, which features mixed functional groups. A combination of Raman spectroscopy, UV-vis absorption and emission spectroscopy, and density functional theory (DFT) calculations were employed for characterization.
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