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Intervalence Charge Transfer in an Osmium(IV) Tetra(ferrocenylaryl) Complex.
Inorg Chem
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The functional properties of tetraaryl compounds, M(aryl) (M = transition metal or group 14 element), are dictated not only by their common tetrahedral geometry but also by their central atom. The identity of this atom may serve to modulate the reactivity, electrochemical, magnetic, and optical behavior of the molecular species, or of extended materials built from appropriate tetraaryl building blocks, but this has not yet been systematically evaluated. Toward this goal, here we probe the influence of Os(IV), C, and Si central atoms on the spectroelectrochemical properties of a series of redox-active tetra(ferrocenylaryl) complexes.
View Article and Find Full Text PDFHigh-Sensitivity Fluorescent Sensing Platform for Rapid and Selective Detection of Chlorpyrifos Pesticide in Water Samples Using Terbium-Isatin-3-allyl Complex.
J Fluoresc
January 2025
Department of Chemistry, Faculty of Science, Suez Canal University, Ismailia, 41522, Egypt.
The detection of organophosphorus pesticides, particularly chlorpyrifos, in environmental samples is essential due to their widespread use and associated health risks. In this study, we developed a high-sensitivity fluorescent sensing platform utilizing an Isatin-3-allyl-terbium (IS-Tb) complex in solution for the rapid and selective detection of chlorpyrifos in various water samples. The proposed chemical structure of the complex in solution was evaluated using molar ratio method.
View Article and Find Full Text PDFNonlinear Optical Properties of Bis(dehydrobenzoannuleno)benzenes: An Experimental and Computational Approach.
J Phys Chem A
January 2025
Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Given their molecular properties and electronic structure, graphyne and graphdiyne are promising materials with numerous applications in different fields of material science. Dehydrobenzoannules (DBAs) are candidates that can serve as building blocks for synthesizing and designing new 2D carbon allotropes; however, only a few graphynes have been produced on a practical scale. Herein, we present our investigation of three DBAs, which serve as a model to understand the relationship between the structure and property, contributing to 2D carbon allotropes' rational design and synthetic effort.
View Article and Find Full Text PDFA Cu(I)-Based MOF with Nonlinear Optical Properties and a Favorable Optical Limit Threshold.
Nanomaterials (Basel)
January 2025
Key Laboratory of Organic Integrated Circuit, Tianjin Key Laboratory of Molecular Optoelectronic Sciences & Ministry of Education, Department of Chemistry, School of Science, Tianjin University, Tianjin 300072, China.
The exploitation of high-performance third-order nonlinear optical (NLO) materials that have a favorable optical limit (OL) threshold is essential due to a rise in the application of ultra-intense lasers. In this study, a Cu-based MOF (denoted as Cu-bpy) was synthesized, and its third-order NLO and OL properties were investigated using the Z-scan technique with the nanosecond laser pulse excitation set at 532 nm. The Cu-bpy exhibits a typical rate of reverse saturable absorption (RSA) with a third-order nonlinear absorption coefficient of 100 cm GW and a favorable OL threshold of 0.
View Article and Find Full Text PDFReactions of Hydrogen-Passivated Silicon Vacancies in -Quartz with Electron Holes and Hydrogen.
Nanomaterials (Basel)
January 2025
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.
We used density functional theory with a hybrid functional to investigate the structure and properties of [4H] (hydrogarnet) defects in -quartz as well as the reactions of these defects with electron holes and extra hydrogen atoms and ions. The results demonstrate the depassivation mechanisms of hydrogen-passivated silicon vacancies in -quartz, providing a detailed understanding of their stability, electronic properties, and behaviour in different charge states. While fully hydrogen passivated silicon vacancies are electrically inert, the partial removal of hydrogen atoms activates these defects as hole traps, altering the defect states and influencing the electronic properties of the material.
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