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Linear Inverse Sandwich Complexes of Tetraanionic Benzene Stabilized by Covalent δ-Bonding with Late Lanthanides.
J Am Chem Soc
November 2024
Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
A series of dilanthanide benzene inverse sandwich complexes of the type (CpLn)(μ-η:η-CH) () (Ln = Y, Gd, Tb, Dy, Tm) are reported. These compounds are synthesized by reduction of the respective trivalent dimers CpLnI (Ln = Y, Gd, Tb, Dy, Tm) in diethyl ether with potassium graphite in the presence of benzene, and they feature an unusual linear coordination geometry with a highly planar benzene bridge as verified by single-crystal X-ray diffraction. The Ln-Bz distances of are the shortest distances observed to date, ranging from 1.
View Article and Find Full Text PDFAchieving Ultrahigh Thermal Stability in Cr-Activated Garnet Phosphors through Electron Migration between Thermally Coupled Levels.
Inorg Chem
August 2024
Guangdong Provincial Key Laboratory of Rare Earth Development and Application, Institute of Resources Utilization and Rare Earth Development, Guangdong Academy of Sciences, Guangzhou 510650, P. R. China.
Recently, Cr-activated near-infrared (NIR) phosphors have received much more attention due to their excellent photoluminescence (PL) properties. However, most of them suffer from poor thermal stability which limits further application. Herein, a novel LuCaGaSnO:Cr phosphor with broadband NIR emission (λ = 750 nm) is synthesized successfully.
View Article and Find Full Text PDFStructural characterization and keto-enol tautomerization of 4-substituted pyrazolone derivatives with DFT approach.
J Mol Graph Model
September 2024
Department of Chemistry, Faculty of Arts and Sciences, Ordu University, 52200, Ordu, Turkey.
The synthesis of two pyrazolone derivative compounds, PYR-I(4-Acetyl-1-(4-chlorophenyl)-3-isopropyl-1H-pyrazol-5(4H)-one) and PYR-II1-(4-Chlorophenyl))-3-isopropyl-5-oxo-4,5-5-dihydro-1H-pyrazole-4-carbaldehyde, their characterization by FT-IR, NMR, UV-Vis and GC-MS techniques, and the evaluation of the keto-enol tautomerization process of the structures along with the DFT approach and spectral data were reported in this paper. Spectral findings indicated that PYR-I was stable at the keto state. The IR spectrum recorded in solid form showed that the PYR-II structure was stable in the enol state, while the NMR spectrum in the solution medium showed that it was stable in the keto state.
View Article and Find Full Text PDFMechanism, thermochemistry, and kinetics of formation of PhC(O)H and HOPhC(O)H during unimolecular decomposition of P-PhC(O)HPhOH.
J Mol Model
July 2024
V.L. Tal'rose Institute of Energy Problems for Chemical Physics at Federal Research Center for Chemical Physics, Russian Academy of Sciences, Moscow, Russia.
Context: Bisphenols are one of the main components of bio-oil, produced during the pyrolysis of lignin-containing biomass. Synthetic bisphenols are used in polycarbonate plastics, epoxy resins, and thermal papers. Their mechanism of oxidation is important for the determination of the fire safety of these materials and the possibility of using them as additives in fuels for the decrease and description of ignition delays, as well as for the determination of their health risk assessment in medicine.
View Article and Find Full Text PDFStructure-Property Correlations in CZTSe Domains within Semiconductor Nanocrystals as Photovoltaic Absorbers.
Adv Sci (Weinh)
August 2024
Department of Chemical Sciences and Bernal Institute, University of Limerick, Limerick, V94 TP9X, Ireland.
Semiconductor nanocrystals (NCs) are promising materials for various applications. Two of four recently identified CuZnSnSe (CZTSe) domains demonstrate metallic character, while the other two exhibit semiconductor character. The presence of both metallic and semiconductor domains in one NC can hugely benefit future applications.
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