Effect of absorbed pump power on the quality of output beam from monolithic microchip lasers

The dependence of the beam propagation factor (M ² parameter) with the absorbed pump power in the case of monolithic microchip laser under face-cooled configuration is extensively studied. Our investigations show that the M ₂ parameter is related to the absorbed pump power through two parameters (α and β) whose values depend on the laser material properties and laser configuration. We have shown that one parameter arises due to the oscillation of higher order modes in the microchip cavity and the other parameter accounts for the spherical aberration associated with the thermal lens induced by the pump beam. Such dependency of M ² parameter with the absorbed pump power is experimentally verified for a face-cooled monolithic microchip laser based on Nd³⁺ -doped GdVO₄ crystal and the values of α and β parameters were estimated from the experimentally measured data points.     

Modification of magnetic anisotropy in metallic glasses using high-energy ion beam irradiation

Heavy ion irradiation in the electronic stopping power region induces macroscopic dimensional change in metallic glasses and introduces magnetic anisotropy in some magnetic materials. The present work is on the irradiation study of ferromagnetic metallic glasses, where both dimensional change and modification of magnetic anisotropy are expected. Magnetic anisotropy was measured using Mössbauer spectroscopy of virgin and irradiated Fe₄₀Ni₄₀B₂₀ and Fe₄₀Ni₃₈Mo₄B₁₈ metallic glass ribbons. 90 MeV ¹²⁷I beam was used for the irradiations. Irradiation doses were 5×10¹³ and 7.5×10¹³ ions/cm². The relative intensity ratios D ₂₃ of the second and third lines of the Mössbauer spectra were measured to determine the magnetic anisotropy. The virgin samples of both the materials display in-plane magnetic anisotropy, i.e., the spins are oriented parallel to the ribbon plane. Irradiation is found to cause reduction in magnetic anisotropy. Near-complete randomization of magnetic moments is observed at high irradiation doses. Correlation is found between the residual stresses introduced by ion irradiation and the change in magnetic anisotropy.     

Oxofluorovanadates(V). IV. Dioxotetrafluorovanadates

Preparation and properties of the salts of the series MVO₂F₄, where M = NH, Na⁺, K⁺, 1/2 Ni²⁺, and 1/3 [Co(NH₃)₆]³⁺ are described. Molecular conductivity of Na₃VO₂F₄ at different dilutions indicates that Na₃VO₂F₄ dissociates into 3 Na⁺ and VOaF ions. Ion exchange study of (NH₄)₃VO₂F₄ solution through cation exchange resin (H⁺ form) suggests that the corresponding acid decomposes partly to vanadium pentoxide. Reaction between (NH₄)₃VO₂F₄ with BaCl₂ and AgNO₃ solutions shows the formation of BaVO₂F₃ and AgVO₃ respectively. Thermogravimetric study of (NH₄)₃VO₂F₄ shows the formation of impure vanadium pentoxide as the ultimate product on heating up to 450°C. X-ray powder diffraction data are given for (NH₄)₃VO₂F₄ and Na₃VO₂F₄.     

The microwave spectrum and structure of trifluoro-ethylene

The microwave spectrum of trifluoroethylene F₂C=CHF is reported, and a number of ground state and vibrationally excited state lines are assigned. The ground state rotational constants are: 10665.31, 3872.36, 2837.97 MHz. The dipole components are μ_a = 0.075 D, μ_b = 1.30 D, and μ_total = 1.30 D. Calculations of the inertia defect of the ground and excited states indicate that the equilibrium configuration is planar.     

An Anthracene-Based Metal-Organic Framework for Selective Photo-Reduction of Carbon Dioxide to Formic Acid Coupled with Water Oxidation

A Zr-based metal-organic framework has been synthesized and employed as a catalyst for photochemical carbon dioxide reduction coupled with water oxidation. The catalyst shows significant carbon dioxide reduction property with concomitant water oxidation. The catalyst has broad visible light as well as UV light absorption property, which is further confirmed from electronic absorption spectroscopy. Formic acid was the only reduced product from carbon dioxide with a turn-over frequency (TOF) of 0.69 h⁻¹ in addition to oxygen, which was produced with a TOF of 0.54 h⁻¹. No external photosensitizer is used and the ligand itself acts as the light harvester. The efficient and selective photochemical carbon dioxide reduction to formic acid with concomitant water oxidation using Zr-based MOF as catalyst is thus demonstrated here.     

Mesoporous Core–Shell Fenton Nanocatalyst: A Mild,Operationally Simple Approach to the Synthesis of Adipic Acid

Mesoporous nanoparticles composed of γ‐Al₂O₃ cores and α‐Fe₂O₃ shells were synthesized in aqueous medium. The surface charge of γ‐Al₂O₃ helps to form the core–shell nanocrystals. The core–shell structure and formation mechanism have been investigated by wide‐angle XRD, energy‐dispersive X‐ray spectroscopy, and elemental mapping by ultrahigh‐resolution (UHR) TEM and X‐ray photoelectron spectroscopy. The N₂ adsorption–desorption isotherm of this core–shell materials, which is of type IV, is characteristic of a mesoporous material having a BET surface area of 385 m² g^?1 and an average pore size of about 3.2 nm. The SEM images revealed that the mesoporosity in this core–shell material is due to self‐aggregation of tiny spherical nanocrystals with sizes of about 15–20 nm. Diffuse‐reflectance UV/Vis spectra, elemental mapping by UHRTEM, and wide‐angle XRD patterns indicate that the materials are composed of aluminum oxide cores and iron oxide shells. These Al₂O₃@Fe₂O₃ core–shell nanoparticles act as a heterogeneous Fenton nanocatalyst in the presence of hydrogen peroxide, and show high catalytic efficiency for the one‐pot conversion of cyclohexanone to adipic acid in water. The heterogeneous nature of the catalyst was confirmed by a hot filtration test and analysis of the reaction mixture by atomic absorption spectroscopy. The kinetics of the reaction was monitored by gas chromatography and ¹H NMR spectroscopy. The new core–shell catalyst remained in a separate solid phase, which could easily be removed from the reaction mixture by simple filtration and the catalyst reused efficiently.     

Organic–Inorganic Hybrid Supermicroporous Iron(III) Phosphonate Nanoparticles as an Efficient Catalyst for the Synthesis of Biofuels

Here we report a novel family of crystalline, supermicroporous iron(III) phosphonate nanomaterials (HFeP‐1‐3, HFeP‐1‐2, and HFeP‐1‐4) with different Fe^III‐to‐organophosphonate ligand mole ratios. The materials were synthesized by using a hydrothermal reaction between benzene‐1,3,5‐triphosphonic acid and iron(III) chloride under acidic conditions (pH≈4.0). Powder X‐ray diffraction, N₂ sorption, transmission and scanning electron microscopy (TEM and SEM) image analysis, thermogravimetric and differential thermal analysis (TGA‐DTA), and FTIR spectroscopic tools were used to characterize the materials. The triclinic crystal phase [P$\bar 1$ (2) space group] of the hybrid iron phosphonate was established by a Rietveld refinement of the PXRD analysis of HFeP‐1‐3 by using the MAUD program. The unit cell parameters are a=8.749(1), b=8.578(1), c=17.725(3) Å; α=104.47(3), β=97.64(1), γ=113.56(3)°; and V=1013.41 ų. With these crystal parameters, we proposed an 24‐membered‐ring open framework structure for HFeP‐1. Compound HFeP‐1‐3, with an starting Fe/ligand molar ratio of 3.0, shows the highest Brunauer–Emmett–Telller (BET) surface area of 556 m²g^?1 and uniform supermicropores of approximately 1.1 nm. The acidic surface of the porous iron(III) phosphonate nanoparticles was used in a highly efficient and recyclable catalytic transesterification reaction for the synthesis of biofuels under mild reaction conditions.     

Structurally Stabilized Organosilane‐Templated Thermostable Mesoporous Titania

Structurally thermostable mesoporous anatase TiO₂ (m‐TiO₂) nanoparticles, uniquely decorated with atomically dispersed SiO₂, is reported for the first time. The inorganic Si portion of the novel organosilane template, used as a mesopores‐directing agent, is found to be incorporated in the pore walls of the titania aggregates, mainly as isolated sites. This is evident by transmission electron microscopy and high‐angle annular dark field scanning transmission electron microscopy, combined with electron dispersive X‐ray spectroscopy. This type of unique structure provides exceptional stability to this new material against thermal collapse of the mesoporous structure, which is reflected in its high surface area (the highest known for anatase titania), even after high‐temperature (550 °C) calcination. Control of crystallite size, pore diameter, and surface area is achieved by varying the molar ratios of the titanium precursor and the template during synthesis. These mesoporous materials retain their porosity and high surface area after template removal and further NaOH/HCl treatment to remove silica. We investigate their performance for dye‐sensitized solar cells (DSSCs) with bilayer TiO₂ electrodes, which are prepared by applying a coating of m‐TiO₂ onto a commercial titania (P25) film. The high surface area of the upper mesoporous layer in the P25–m‐TiO₂ DSSC significantly increases the dye loading ability of the photoanode. The photocurrent and fill factor for the DSSC with the bilayer TiO₂ electrode are greatly improved. The large increase in photocurrent current (ca. 56 %) in the P25–m‐TiO₂ DSSC is believed to play a significant role in achieving a remarkable increase in the photovoltaic efficiency (60 %) of the device, compared to DSSCs with a monolayer of P25 as the electrode.     

Theoretical investigation of the molecular structure,vibrational spectra,and molecular docking of tramadol using density functional theory

The optimized molecular structures, harmonic vibrational wavenumbers, and the corresponding vibrational assignments of (1S,2S)-tramadol and (1R,2R)-tramadol are computationally examined using the B3LYP density functional theory method together with the standard 6–311++G(d,p) and def2-TVZP basis sets. The optimized structures show that phenolic rings of both 1R,2R and 1S,2S tramadol adopt planar geometry, which are slightly distorted due to the substitution at the meta-position; and the six-membered cyclohexane adopts a slightly distorted chair conformation. The 1S,2S enantiomer is energetically more favorable than 1R,2R with the energy differences of 1.32 and 1.03 kcal/mol obtained at B3LYP/6–311++G(d,p) and B3LYP/Def2-TVZP levels, respectively. The analysis of the binding pocket in the silico molecular docking with the m-opioid receptor shows that it originated two clusters with the 1S,2S enantiomer and one cluster with the 1R,2R enantiomer of tramadol. The results point to a more stable complex of the m-opioid receptor with the 1R,2R enantiomer of tramadol.