Thermal dry reforming of methane over La2O3 co-supported Ni/MgAl2O4 catalyst for hydrogen-rich syngas production

Research on Chemical Intermediates - The excess emission of greenhouse gases (GHGs) such as CO2 and CH4 is posing an acute threat to the environment, and efficient ways are being sought to utilize...     

Design,synthesis and theoretical analysis of functionalized dicarboxylate moieties based on organotin(IV) dinuclear complexes: crystal structure elucidation and biological studies

Dinuclear tin(IV) dicarboxylate complexes of the types [(n-Bu)₂Sn(oda)(4-pic)]₂·2H₂O (1) and [(n-Bu)₂Sn(pda)(H₂O)]₂ (2) [H₂oda = oxydiacetic acid; H₂pda = pyridine 2,6-dicarboxylic acid) were synthesized and characterized via physicochemical and spectroscopic studies. The spectroscopic results indicated that Sn is seven-coordinate having pentagonal bipyramidal (pbp) geometry in both complexes. The X-ray study of complex 2 further specified pentagonal bipyramidal geometry with dinuclear structural arrangement due to the involvement of carboxylate bridges formed by pda^2? moiety. The crystal structure is further stabilized by different weak interactions viz., C–C?H, C–C?O, C–H?O, C–C?O, and C–H?H. These interactions are further supported by Hirshfeld surface analysis along with 2-D fingerprint plots of complex 2. In vitro DNA-binding studies of both complexes were evaluated using spectroscopic techniques (absorbance and fluorescence) which ascertained optimum binding affinity of both complexes. However, cleavage activity of the complexes was assessed using supercoiled DNA (pBR322) via gel electrophoresis technique which demonstrated significant cleavage pattern of both complexes at different concentrations. Furthermore, chemotherapeutic potential of complexes 1 and 2 against MCF-7 and Hep carcinoma cell lines also suggested significant antiproliferative effect of complexes. These results revealed momentous exploration of drug–DNA interactions which may engender new insinuation for the advancement of metallo-pharmaceuticals.     

Comparative study on BIS thiourea cadmium acetate crystals using HRXRD, etching, microhardness, UV-visible and dielectric characterizations

〈1 1 1〉 oriented bis thiourea cadmium acetate (BTCA) crystal of diameter 15 mm and length 45 mm was grown for the first time by the unidirectional Sankaranarayanan-Ramasamy (SR) method. The conventional and SR method grown BTCA crystals were characterized by using high-resolution X-ray diffraction (HRXRD), chemical etching, Vickers microhardness, UV-vis, dielectric studies and differential scanning calorimetry. The HRXRD analysis indicates that the crystalline perfection of SR method grown crystal is good without having any low angle internal structural grain boundaries. The transmittance of SR method grown BTCA is 14% higher than that of conventional grown crystal. The dielectric constant was higher and the dielectric loss was less in SR method grown crystal. The crystals grown by SR method possess less dislocation density and higher microhardness.     

DFT studies on the tetranuclear cubane complex [Ni4(ampd)4(Cl4)]·MeCN

Density functional theory (DFT) is used to investigate the structural properties of Ni(II) cubane [Ni₄(ampdH)₄Cl₄]·MeCN. The structural features and ground state geometry calculations are computed at the B3LYP/6-31G* (LANL2DZ) level of theory. We shed light on the highest occupied molecular orbital and lowest unoccupied molecular orbital. The absorption spectrum is calculated using time-dependent DFT. The absorption wavelengths are calculated using different functionals, i.e., pw91pw91, B3LYP, BHandHLYP, CAM-B3LYP, LC-BLYP, and M06. The LC-BLYP is in good agreement with the experimental data.     

Template synthesis and spectroscopic studies of highly conjugated tetraiminetetraamide macrocyclic complexes from 1,2-diphenylethane-1,2-dione dihydrazone

A new class of tetraiminetetraamide macrocyclic (Ph4[20]tetraene, N8O4, and Ph6[20]tetraene, N8O4) complexes have been prepared through the metal ion controlled reaction of 1,2-diphenylethane-1,2-dione dihydrazone (DPEDDH) with succinic acid [ML1X2] or phthalic acid [ML2X2] [M=Mn, Co, Ni, Cu or Zn; X=Cl or NO3]. The structures of the complexes have been elucidated on the basis of i.r, 1H-n.m.r, e.p.r. and electronic spectral data and conductance, as well as magnetic, properties. An octahedral geometry is assigned for all the complexes, involving coordination of the all-imine nitrogens.     

Kerr modulation of planar waveguides

We describe two methods for employing materials with giant Kerr nonlinearities for modulating waveguides. A beam, of relatively intense light, is used to vary the propagation constant of a waveguide with the guiding layer, or the substrate, made from a nonlinear material.     

Temperature Dependence of Selective Emission Intensity of the R1 Line upon Laser–Thermal Heating of Ruby

Optics and Spectroscopy - The temperature dependence of the selective emission intensity of the R1 line upon laser-thermal heating of ruby is studied and explained by competition of radiative and...     

Simulation of parametric oscillation in the submillimeter range at pumping of the ZnGeP2 crystal by a train of 100-ps high-power pulses

Analysis is given for a possibility of singly resonant parametric oscillation in the submillimeter range at synchronous pumping of the ZnGeP₂ crystal by a train of 100-ps second-harmonic pulses from the CO₂ laser with the radiation energy 1.0 J. The calculation shows that using the ZnGeP₂ crystal and the second harmonic of the CO₂ laser with the energy density 1.8 J cm⁻², one can get the peak submillimeter radiation power from 3.6 to 12 MW in the range from 95 to 300 μm (1.0–3.3 THz). The expected peak power values are larger than the experimental ones obtained by other nonlinear optics methods.     

Growth and characterization of glycine picrate—Remarkable second-harmonic generation in centrosymmetric crystal

Remarkable second-harmonic generation (SHG) efficiency has been observed in the glycine picrate (GP) though it crystallizes in centrosymmetric structure. Bulk single crystals of GP with a good size of ~20×10×3 mm³ have been successfully grown by the slow cooling method in aqueous medium. Powder X-ray diffraction (PXRD), Fourier transform infrared (FT-IR) and FT-Raman studies have confirmed, respectively, the crystal structure and functional groups of the grown crystal. Crystalline perfection of single crystals has been evaluated by high-resolution X-ray diffractometry (HRXRD) using a multicrystal X-ray diffractometer and found that the grown crystals are nearly perfect. Nonlinear optical (NLO) behavior of glycine picrate crystals has been studied for the first time by Kurtz powder technique and its second-harmonic generation efficiency is found to be 2.34 times higher than that of KDP. Transparency of crystals in UV–vis–NIR region has also been studied. Dielectric measurements have been carried out using an impedance analyzer over a wide range of frequency (100 Hz–3 MHz) at room temperature. The slight decrease in dielectric constant has been observed as the frequency is increased and the dielectric loss is very low for the entire frequency range. The ac conductivity is almost constant up to 1 MHz and sudden increase has been observed above this frequency.