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The compound 4-cholorophenoxy acetonitrile (CPAN) was examined using Nonlinear optical properties in the current study. With the aid of normal coordinate analysis and the SQMFF methodology, vibrational analysis of FT-IR and FT-Raman has been conducted. Natural bond orbital analysis is used to analyze the electronic stability of the compound created by hyper conjugative contacts and charge delocalization, and the Frontier molecular orbital energy gap confirms the molecule's optical activity. ESP recognizes the nucleophilic and electrophilic areas of molecules, and the chemical implication of molecules was explained using ELF, LOL. Third-order nonlinear optical (NLO) investigations are carried out on a CPAN crystal using the Z-scan technique, and optical properties are established. [ABSTRACT FROM AUTHOR]

This work reports on the photocatalytic activity of tin oxide (SnO2)-doped magnesium (Mg) and fluorine (F) nanoparticles for methyl orange and safranin dye degradation under sunlight irradiation. Nanocatalysis-induced dye degradation was examined using UV–visible spectroscopy and a pseudo-first-order kinetics model. The results indicate that the prepared nanoparticles exhibit superior photocatalytic activity, and the degradation of methyl orange (MO) dye is approximately 82%. In contrast, the degradation of safranin dye is 96% in the same time interval of 105 min. The calculated crystallite size of the SnO2–Mg–F nanocomposite is 29.5 nm, which respects the particle size found in the DLS analysis with a tetragonal structure and spherical morphology affirmed. The optical characteristics were assessed, and their respective bandgap energies were determined to be 3.6 eV. The influence of F in Mg and SnO2 is recognized with the XRD and FT-IR spectra of the prepared particles. [ABSTRACT FROM AUTHOR]

New NiSn(OH)6 hexahydroxide nanoparticles were synthesised through a co-precipitation method using various concentrations of Ni2+ and Sn4+ ions (e.g., 1:0, 0:1, 1:2, 1:1, and 2:1; namely, N, S, NS-3, NS-2, and NS-1) with an ammonia solution. The perovskite NiSn(OH)6 was confirmed from powder X-ray diffraction and molecule interactions due to different binding environments of Ni, Sn, O, and water molecules observed from an FT-IR analysis. An electronic transition was detected from tin (Sn 3d) and nickel (Ni 2p) to oxygen (O 2p) from UV-Vis/IR spectroscopy. Photo luminescence spectroscopy (PL) identified that the emission observed at 400–800 nm in the visible region was caused by oxygen vacancies due to various oxidation states of Ni and Sn metals. A spherical nanoparticle morphology was observed from FE-SEM; this was due to the combination of Ni2+ and Sn4+ increasing the size and porosity of the nanoparticle. The elemental (Ni and Sn) distribution and binding energy of the nanoparticle were confirmed by EDAX and XPS analyses. Among the prepared various nanoparticles, NS-2 showed a maximum specific capacitance of 607 Fg−1 at 1 Ag−1 and 56% capacitance retention (338 Fg−1 and 5 Ag−1), even when increasing the current density five times, and excellent cycle stability due to combining Ni2+ with Sn4+, which improved the ionic and electrical conductivity. EIS provided evidence for NS-2's low charge transfer resistance compared with other prepared samples. Moreover, the NS-2//AC (activated carbon) asymmetric supercapacitor exhibited the highest energy density and high-power density along with excellent cycle stability, making it the ideal material for real-time applications. [ABSTRACT FROM AUTHOR]

High energy x-rays from a medical linear accelerator (LINAC) is used to treat cancer patients in radiotherapy department. The medical linac can produce bremsstrahlung x-rays from 4MV to 18MV and the commonly used linac produces 6MV,10 MV and 15MV photons for treating major parts of the cancer patients. The photo neutron production during the radiation treatment is one of the major issues which have to be addressed with high impact because of the high LET nature associated with it. Photo neutrons are produced from several high atomic number (Z) elements present in the linac head mostly by the (ɣ,n) reaction. The flattening filter used in medical linac to produce uniform intensity distribution (made up of either tungsten,steel,lead,uranium, aluminum or a combination) is one of the photo neutron sources in the linac head. Advanced radiotherapy treatments like Intensity Modulated Radiotherapy (IMRT) and Volumetric Arc Therapy (VMAT) doesn’t require a flat radiation field, and hence the flattening filter could be removed. This is called flattening filter free beam (FFF beam)1,2. The removal of the filter will result in a forward peaked photon beam, which is very advantageous for these kinds of treatments3,4. The purpose of this work was to find out the difference in the percentage of photo neutron production in a flattening filter free (FFF) and flattening filter (FF) beam using CR39 Solid State Nuclear Track Detector (SSNTD) from an Elekta Versa HD machine. The neutron fluence was measured at different positions with FFF and FF mode and the results were tabulated. The neutron fluence was lower for the FFF mode of operation than the FF mode. The reduction ranges from 2.27% to 44.22%. [ABSTRACT FROM AUTHOR]

This article aims to report an environmental friendly preparation technique of copper oxide nanoparticles, their structural and morphological properties, and band gap energy analysis. Copper oxide (CuO) nanosize particles are prepared by sol-gel route. Powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, UV-visible absorbance spectra and thermal spectra are used to analyze the nanoparticles. Powder XRD analysis showed that monoclinic structure with excellent crystallite size and d-spacing distance was found. FTIR spectral results confirmed the presence of the Cu-O bands in prepared nanoparticles. Morphology of the samples indicates and confirms the random spherical shape of nanoparticles. Prepared CuO particles show that a color change occurs in synthesis and confirm its respective peaks at 253 nm, which were analyzed through UV-Vis spectroscopy. The band gap is determined equal to 1.3 eV. The exothermic and endothermic processes of prepared nanoparticles were investigated by TG/DTA experiments. [ABSTRACT FROM AUTHOR]

A non-centrosymmetric organic single crystal 2-hydroxyanilinium 3,5-dinitrobenzoate (2HADB) has been grown by slow evaporation solution technique at room temperature using ethanol as solvent. The unit cell parameters and the crystallinity nature of the grown crystal were determined by single crystal and powder X-ray diffraction studies. Fourier transform infrared (FTIR) spectral analysis confirms the various functional groups present in the crystal. The thermal stability and melting point of the material have been investigated by thermogravimetric analysis/differential thermal analysis (TGA/DTA) analysis. The optical absorption studies of the grown crystal were identified by ultraviolet-visible (UV-Vis) spectral analysis. Second harmonic generation (SHG) efficiency of the grown crystal was tested by Kurtz and Perry powder method using Nd:YAG laser as a source. [ABSTRACT FROM AUTHOR]

New organic DL-alanine maleate single crystals have been grown using slow evaporation solution growth technique. The solubility of grown material was determined using water as solvent. Single crystal X-ray diffraction reveals that the grown crystal crystallises in orthorhombic system with non-centrosymmetric space group. Functional groups and their modes of vibration were studied by Fourier transform infrared and Raman spectrum. Thermal stability and nature of decomposition were studied using thermogravimetric analysis/differential thermal analysis plot. The grown crystal shows low absorption behaviour in the entire visible region. A dielectric study was also a study of the distribution of charges within the crystal. Non-linear optical property of the crystal was confirmed using the Kurtz and Perry powder technique. [ABSTRACT FROM AUTHOR]