Interaction of small molecules (NO,H2, N2, and CH4) with BN nanocluster surface

Structural Chemistry - The interactions between BN nanocluster of B12N12 and small molecules (H2, NO, N2, and CH4) were investigated by using density functional computations, exploiting the...     

A theoretical study of CO adsorption on aluminum nitride nanotubes

Adsorption of toxic CO molecule on single-walled aluminum nitride nanotubes (AlNNTs) was investigated using density functional theory calculations. A detailed analysis of the energetic, geometry, and electronic structure of various CO adsorptions on the tube exterior surface was performed. In contrast to carbon and BN nanotubes, our results indicated that AlNNTs can strongly interact with CO molecules. The adsorption energy of the most stable configuration was calculated to be about −0.25 eV. The Morokuma–Kitaura decomposition for molecular interaction energies was used to investigate the nature of C–Al bond in the most stable CO–AlNNT complex, demonstrating that electrostatic forces and polarization term are basic factors of attractive interaction between CO and AlNNT. They provide 37.9 and 40.4% of attractive interaction and charge transfer energies make a little contribution to the adsorption energy of CO.     

Preparation and characterization of Fe3O4@SiO2/APTPOSS core–shell composite nanomagnetics as a novel family of reusable catalysts and their application in the one‐pot synthesis of 1,3‐thiazolidin‐4‐one derivatives

Octakis[3‐(3‐aminopropyltriethoxysilane)propyl]octasilsesquioxane (APTPOSS) as a polyhedral oligomeric silsesquioxane derivative was prepared and used as a pioneer reagent to obtain a novel core–shell composite using magnetic iron oxide nanoparticles as the core and the inorganic–organic hybrid polyhedral oligomeric silsesquioxane as the shell. Fe₃O₄@SiO₂/APTPOSS were confirmed using Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, dynamic light scattering, thermogravimetric analysis, X‐ray diffraction and vibrating sample magnetometry. The inorganic–organic hybrid polyhedral oligomeric silsesquioxane magnetic nanoparticles were used as an efficient new heterogeneous catalyst for the one‐pot three‐component synthesis of 1,3‐thiazolidin‐4‐ones under solvent‐free conditions. Moreover, these nanoparticles could be easily separated using an external magnet and then reused several times without significant loss of catalytic activity. Copyright © 2016 John Wiley & Sons, Ltd.     

Granulated copper oxide nano-catalyst: a novel and efficient catalyst for C–N cross-coupling of amines with iodobenzene

Abstract  

Nano-structured CuO granules catalyze the C–N cross-coupling of amines with iodobenzene in excellent yields. The reaction is simple, efficient, and operates in air under ligand-free conditions.     

Synthesis of benzodiazepines catalyzed by chitosan functionalized by triacid imide as a superior catalyst

Research on Chemical Intermediates - Chitosan functionalized by triacid imide has been applied as an effective catalyst for the synthesis of benzodiazepines by one-pot reactions of...     

One-Pot,Three-Component Synthesis of Pyrimido[4,5-b]quinoline-tetraone Derivatives in Water

Novel pyrimido[4,5-b]quinoline-tetraones were prepared by the three-component reaction of 2-hydroxynaphthalene-1,4-dione, 6-amino-uracils, and aromatic aldehydes in aqueous media and catalyzed by p-toluenesulfonic acid. This protocol provides a simple one-step procedure with the advantages of easy workup, good yield of products, and environmental friendliness.     

LDH(Mg/Al:2)@montmorillonite nanocomposite as a novel anion-exchanger to adsorb uranyl ion from carbonate-containing solutions

Journal of Radioanalytical and Nuclear Chemistry - A layered double hydroxide@montmorillonite nanocomposite (LDH@MMT) was synthesized by the coating of growing LDH layers onto the MMT surface...