Low-dimensional hybrid copper(I) halides attract considerable attention in the field of light emissions. In this work, we obtained the centimeter-sized single crystal of 1,3-propanediamine copper(I) iodide (PDACuI) with a solvent evaporation method. The single crystal X-ray diffraction of PDACuI reveals that the [CuI] tetrahedra form the corner-connected chains separated by PDAs, forming a one-dimensional structure with an orthorhombic space group of . The band gap is determined to be 4.03 eV, and the room temperature photoluminescence (PL) quantum yield is determined to be 26.5%. The thermal quenching and negative thermal quenching of emission are observed via temperature-dependent PL spectra, and our study shows that the intermediate nonradiative state below the self-trapped exciton state may get involved in these temperature-dependent behaviors. The X-ray scintillation performance of PDACuI single crystals is also evaluated, and the relative light output renewed to 94.3% of the fresh one after a low-temperature annealing. On the basis of our results, PDACuI single crystals provide nontoxicity and renewable scintillation performance, thus showing potential application in the area of low-cost radiation detectors.
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http://dx.doi.org/10.1021/acs.inorgchem.3c00770 | DOI Listing |
JACS Au
December 2024
College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310058, China.
The chemical similarities between trivalent actinides [An(III)] and lanthanides [Ln(III)] present a significant challenge in differentiating and separating them, which is a key step toward closing the nuclear fuel cycle. However, the existing separation approaches commonly suffer from demerits such as inadequate separation factors, limited stripping efficiency, and undesired coextraction. In this study, a novel unsymmetrical phenanthroline-derived amide-triazine (Et-Tol-CyMe-ATPhen) extractant was first designed and then screened with theoretical computation.
View Article and Find Full Text PDFACS Cent Sci
December 2024
Division of Chemistry and Chemical Engineering, Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, United States.
Spin-lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates ( ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix.
View Article and Find Full Text PDFOrganometallics
December 2024
Department of Chemistry, University of York, Heslington, York YO10 5DD, U.K.
stabilization of known, but solution unstable, methylidene complex [Ir(Bu-PONOP)(=CH)][BAr ] allows single-crystal to single-crystal solid/gas reactivity associated with the {Ir=CH} group to be studied. Addition of H results in [Ir(Bu-PONOP)(H)][BAr ]; exposure to CO forms iridium(I) carbonyl [Ir(Bu-PONOP)(CO)][BAr ], and reaction with NH gas results in the formation of methylamine complex [(Bu-PONOP)Ir(NHMe)][BAr ] via an aminocarbene intermediate. Periodic density functional theory and electronic structure analyses confirm the Ir=CH bond character but with a very low barrier to rotation around the Ir=CH bond.
View Article and Find Full Text PDFChem Mater
December 2024
Department of Chemistry and Biochemistry, UCLA, Los Angeles, California 90095, United States.
Electrochemically-formed disordered rock salt compounds are an emerging class of Li-ion electrode materials for fast-charging energy storage. However, the specific factors that govern the formation process and the resulting charge storage performance are not well understood. Here, we characterize the transformation mechanism and charge storage properties of an electrochemically-formed disordered rock salt from VMoO (VMO).
View Article and Find Full Text PDFJ Inorg Biochem
December 2024
Department of Chemistry, National Institute of Technology, Rourkela, 769008, Odisha, India. Electronic address:
Three stable oxidovanadium(IV) [VOL] complexes (1-3) were synthesized through the incorporation of unsymmetrical salen ligands (HL). All the ligands are synthesized, and their vanadium compounds were thoroughly characterized by CHNS analysis, various spectroscopy methods (IR, UV-Vis, NMR spectroscopy), and HR-ESI-MS. The structures of 1-3 were validated through the single-crystal X-ray analysis.
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