Palladium‐anchored multidentate SBA‐15/di‐urea nanoreactor: A highly active catalyst for Suzuki coupling reaction

Modification of mesoporous silica was carried out by reaction of SBA‐15 with di‐urea‐based ligand. Next, with the help of this ligand, palladium ions were anchored within the multidentate SBA‐15/di‐urea pore channels with high dispersion. The SBA‐15/di‐urea/Pd catalyst was characterized using various techniques. Theoretical calculations indicated that each palladium ion was strongly interacted with one nitrogen and two oxygen atoms from the multidentate di‐urea ligand located in SBA‐15 channels and these interactions remained during the catalytic cycle. These results are in good agreement with those of hot filtration test: the palladium ions have very high stability against leaching from the SBA‐15/di‐urea support. The catalytic performance of SBA‐15/di‐urea/Pd nanostructure was examined for the Suzuki coupling reaction of phenylboronic acid and electronically diverse aryl halides under mild conditions with a minimal amount of Pd (0.26 mol%). Compared to previous reports, this protocol afforded some advantages such as short reaction times, high yields of products, catalyst stability without leaching, easy catalyst recovery and preservation of catalytic activity for at least six successive runs.     

Synthesis, spectral characterization, and structural investigation of mononuclear salen-type Cu(II) and Zn(II) complexes of a potentially octadentate N2O6 Schiff base ligand derived from binaphthol

A new potentially octadentate N₂O₆ Schiff base ligand, H₂L derived from the condensation of 2,2′-(1,1′-binaphthyl-2,2′-diylbis(oxy))dianiline and o-vanillin, along with its copper(II) and zinc(II) complexes, is synthesized and has been characterized by elemental analyses, IR, UV–vis, ¹H and ¹³C NMR spectra, as well as conductivity measurements. H₂L forms mononuclear complexes of 1:1 (metal:ligand) stoichiometry with Cu(II) and Zn(II), and conductivity data confirm the non-electrolyte nature of these complexes. The [ZnL] and [CuL] complexes display very different solid-state structures, as determined by X-ray crystallography. While the [ZnL] complex has a distorted octahedral geometry about the metal, the [CuL] complex displays a distorted square planar geometry about the copper, with long Cu–O(ether) distances of 2.667 Å.     

Effect of Synthesis Conditions on the Structural,Photocatalic, and Self-Cleaning Properties of TiO2 Nanoparticles

Physics of the Solid State - TiO2 nanoparticles were synthesized via the hydrothermal method. As-synthesized TiO2 properties were characterized by XRD, EDX, FESEM, FTIR, and UV-Vis spectroscopy....     

Fourier transform infrared emission spectra of MnH and MnD

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X⁷Σ⁺ electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm⁻¹. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant (ω_e) for MnH was found to be 1546.84518(65) cm⁻¹, the equilibrium rotational constant (B_e) is 5.6856789(103) cm⁻¹ and the eqilibrium bond distance (r_e) was determined to be 1.7308601(47) Å.     

Far Infrared Investigation of Plasmon-LO Phonon Coupling and Surface Polaritons Modes in Donor Doped Cd1-xHgxTe and CdTe Thin Layer on GaAs Substrate

Infrared Fourier transform spectroscopy has been used to investigate phonon and plasmon modes in Cd_1-xHg_xTe and CdTe thin layer on GaAs substrate. Attenuated total reflection (ATR) spectroscopy has been used to excite surface plasmon and phonon polaritons. The plasmon-LO phonon coupling modes in samples are studied by dispersion curve calculation for various carrier concentrations. There exist three branches of coupled modes in dispersion curve. For analysis of the far infrared polarized reflectivity spectra we employ the harmonic oscillator dielectiic function model and the Drude model for free carrier response. We find that the coupling modes dependent to the concentration of free carriers. Furthermore, the experimental data have been used to calculate carrier concentration, composition parameter, mobility of carrier, thickness of layer and gap energy.     

Infrared emission spectra and equilibrium structures of gaseous HgH2 and HgD2

A detailed analysis of the high-resolution infrared emission spectra of gaseous HgH2 and HgD2 in the 1200-2200 cm(-1) spectral range is presented. The nu3 antisymmetric stretching fundamental bands of 204HgH2, 202HgH2, 201HgH2, 200HgH2, 199HgH2, 198HgH2, 204HgD2, 202HgD2, 201HgD2, 200HgD2, 199HgD2, and 198HgD2, as well as a few hot bands involving nu1, nu2, and nu3 were analyzed rotationally, and spectroscopic constants were obtained. Using the rotational constants of the 000, 100, 01(1)0, and 001 vibrational levels, we determined the equilibrium rotational constants (B(e)) of the most abundant isotopologues, 202HgH2 and 202HgD2, to be 3.135325(24) cm(-1) and 1.569037(16) cm(-1), respectively, and the associated equilibrium Hg-H and Hg-D internuclear distances (re) are 1.63324(1) A and 1.63315(1) A, respectively. The re distances of 202HgH2 and 202HgD2 differ by about 0.005%, which can be attributed to the breakdown of the Born-Oppenheimer approximation.     

The vibration-rotation emission spectra of gaseous CdH2 and CdD2

The vibration-rotation emission spectra of CdH2 and CdD2 molecules have been recorded at high resolution using a Fourier-transform spectrometer. The molecules were generated in a furnace-discharge emission source by reaction of cadmium vapor with molecular hydrogen or deuterium. The fundamental bands for the antisymmetric stretching mode (upsilon3) of CdH2 and CdD2 were detected at about 1771.5 and 1278.3 cm(-1), respectively. In addition, the 002(sigma(g)+)-001(sigma(u)+) and 01 l(pi(g))-010(pi(u)) hot bands were observed for CdH2. Spectroscopic constants were determined for each of the 12 observed isotopologs: 110CdH2, 111CdH2, 112CdH2, 113CdH2, 114CdH2, 116CdH2, 1l0CdD2, 111CdD2, 112CdD2, 113CdD2, 114CdD2, and 116CdD2. The average Cd-H and Cd-D bond distances (r0) were determined to be 1.683028(10) and 1.679161(16) angstroms, respectively.     

Structural and magnetic properties of turmeric functionalized CoFe_2O_4 nanocomposite powder

The structural and magnetic properties of the synthesized pure and functionalized CoFe_2O_4 magnetic nanoparticles(NPs) are studied by analyzing the results from the x-ray diffraction(XRD), transmission electron microscopy(TEM), FT–IR spectroscopy, thermogravimetry(TG), and vibrating sample magnetometer(VSM). To extract the structure and lattice parameters from the XRD analysis results, we first apply the pseudo-Voigt model function to the experimental data obtained from XRD analysis and then the Rietveld algorithm is used in order to optimize the model function to estimate the true intensity values. Our simulated intensities are in good agreement with the experimental peaks, therefore, all structural parameters such as crystallite size and lattice constant are achieved through this simulation. Magnetic analysis reveals that the synthesized functionalized NPs have a saturation magnetization almost equal to that of pure nanoparticles(PNPs). It is also found that the presence of the turmeric causes a small reduction in coercivity of the functionalized NPs in comparison with PNP. Our TGA and FTIR results show that the turmeric is bonded very well to the surface of the NPs. So it can be inferred that a nancomposite(NC) powder of turmeric and nanoparticles is produced. As an application, the anti-arsenic characteristic of turmeric makes the synthesized functionalized NPs or NC powder a good candidate for arsenic removal from polluted industrial waste water.     

Gas chromatographic detection of some nitro explosive compounds in soil samples after solid‐phase microextraction with carbon ceramic copper nanoparticle fibers

In this research, a new solid‐phase microextraction fiber based on carbon ceramic composites with copper nanoparticles followed by gas chromatography with flame ionization detection was applied for the extraction and determination of some nitro explosive compounds in soil samples. The proposed method provides an overview of trends related to synthesis of solid‐phase microextraction sorbents and their applications in preconcentration and determination of nitro explosives. The sorbents were prepared by mixing of copper nanoparticles with a ceramic composite produced by mixture of methyltrimethoxysilane, graphite, methanol, and hydrochloric acid. The prepared sorbents were coated on copper wires by dip‐coating method. The prepared nanocomposites were evaluated statistically and provided better limits of detection than the pure carbon ceramic. The limit of detection of the proposed method was 0.6 μg/g with a linear response over the concentration range of 2–160 μg/g and square of correlation coefficient >0.992. The new proposed fiber has been demonstrated to be a suitable, inexpensive, and sensitive candidate for extraction of nitro explosive compounds in contaminated soil samples. The constructed fiber can be used more than 100 times without the need for surface generation.