Impregnated copper ferrite on mesoporous graphitic carbon nitride: An efficient and reusable catalyst for promoting ligand‐free click synthesis of diverse 1,2,3‐triazoles and tetrazoles

Magnetic CuFe₂O₄/g‐C₃N₄ hybrids were synthesized through a facile method and their catalytic performances were evaluated in click chemistry for the first time. The structural and morphological characterization of prepared materials was carried out by different techniques such as X‐ray diffraction, high‐resolution transmission electron microscopy, field emission scanning electron microscopy, Fourier infrared spectroscopy, vibrating sample magnetometry, thermogravimetric analysis, and N₂ adsorption–desorption analysis (Brunauer–Emmett–Teller surface area). The utilization of magnetic CuFe₂O₄/g‐C₃N₄ enabled superior performance in the one‐pot azide–alkyne cycloaddition reaction in water using alkyl halides and epoxides as azide precursors without the need of any additional agents. The present system is broad in scope and especially practical for the synthesis of macrocyclic triazoles and also tetrazoles. In addition, the catalytic system highly fulfills the demands of “green click chemistry” with its convenient conditions, especially easy access to a variety of significant products in low catalyst loading and simple work‐up and isolation procedure.     

A Functionalized Ag2S Molecular Architecture: Facile Assembly of the Atomically Precise Ferrocene‐Decorated Nanocluster [Ag74S19(dppp)6(fc(C{O}OCH2CH2S)2)18]

A ferrocene‐based dithiol 1,1′‐[fc(C{O}OCH₂CH₂SH)₂] has been prepared and treated with a Ag^I salt to form the stable dithiolate compound [fc(C{O}OCH₂CH₂SAg)₂]_n (fc=[Fe(η⁵‐C₅H₄)₂]). This is used as a reagent for the preparation of the nanocluster [Ag₇₄S₁₉(dppp)₆(fc(C{O}OCH₂CH₂S)₂)₁₈] which was obtained in good yield (dppp=1,3‐bis(diphenylphosphino)propane).     

Convective Instability in Superposed Fluid and Porous Layers with Vertical Throughflow

A closed form solution to the convective instability in a composite system of fluid and porous layers with vertical throughflow is presented. The boundaries are considered to be rigid-permeable and insulating to temperature perturbations. Flow in the porous layer is governed by Darcy–Forchheimer equation and the Beavers–Joseph condition is applied at the interface between the fluid and the porous layer. In contrast to the single-layer system, it is found that destabilization due to throughflow arises, and the ratio of fluid layer thickness to porous layer thickness, , too, plays a crucial role in deciding the stability of the system depending on the Prandtl number.     

The Different Effects of Metal Ions on the Synthesis of Macroacyclic Compounds: X-ray Crystal Structure,Theoretical Studies,Antibacterial and Antifungal Activities

Russian Journal of Coordination Chemistry - In this work, we have been involved studying the synthesis of some new macroacyclic complexes I–VIII, so we tried to get propoesed results...     

A quantum chemical study of the interactions of uracil as a constituent of ribonucleic acid (RNA) with thiazolidinedione and rhodanine bioactive molecules: an insight into energetic and structural features

In this study, the biologically active configurations composed of Thiazolidinedione–Uracil (TU) and Rhodanine–Uracil (RU) have been fully investigated from the energetic and structural points of view, employing B3LYP and M062X functionals in combination with the different basis sets. Dispersion corrections to the interaction energy using M062X–GD3 and double hybrid density functionals (B2PLYP–GD2, B2PLYP–GD3 and mPW2PLYP–GD2) are also taking into account. The basis set superposition error-corrected interaction energy for hydrogen bonded configurations ranges from ??5.27 to ??13.53 and ??5.25 to ??12.93 kcal/mol for TU and RU complexes respectively as calculated at M062X/6–311++G(df,pd) level. The charge transfer process within all of the TU and RU configurations were analyzed using Natural Bond Orbital (NBO) calculations. The nature of the interactions is analyzed with NBO and Atoms in Molecules (AIM) analysis at M062X/6–311++G(df,pd) and energy decomposition analysis at BP86–D3/TZ2P(ZORA)//M062X/6–311++G(df,pd) level of theory. The results confirm that the nature of the interactions is nearly electrostatic, with a contribution of about 51–56% of the total interaction energy. The orbital interactions (ΔE_orb) for the considered TU and RU complexes have a contribution of about 24–38% of the total interaction energy. Based on the AIM and NBO results, the interactions were defined as electrostatic H-bonds with partially covalent character. In addition, correlation between interaction energies and vibrational frequency changes was investigated.