In this work, we have investigated Ce3+ and Er3+ co-doped hydroxyapatite (HAp) structures both theoretically and experimentally for the first time. The Ce3+ content was incrementally varied in steps of 0.13 at. %, ranging from 0.13 at. % to 0.78 at. %. Meanwhile, the Er3+ content remained constant at 0.39 at. % for all samples. We employed X-ray diffraction, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry, and in vitro biocompatibility tests to examine the prepared samples. Our findings demonstrate that the thermal behavior, morphology, and other crystal structure-related parameters are significantly influenced by the concentration of Ce3+. The formation of HAp structures was confirmed through FTIR and Raman spectroscopic analyses. Furthermore, we conducted theoretical calculations to determine the linear absorption coefficient, density of states, and bandgap. These calculations revealed that the addition of Ce3+ atoms at varying concentrations resulted in an increase in density from 3.174 to 3.195 g cm-3, while the bandgap gradually decreased from 4.16 to 4.10 eV, except for the 0.26Ce-0.39Er-HAp and 0.52Ce-0.39Er-HAp compositions, where the energy bandgap exhibited an increase.

This paper explores the synthesis, structural, and dielectric characterization of a new ceramic material of BaTiO3 type. The sample was prepared by the solid-state synthesis method. The X-ray diffraction pattern indicated that the material crystallizes in the space group Pm-3 m with a cubic structure. Using Debye Scherrer's formula and the SEM, The crystalline and grain size of the sample was estimated to be ∼ 147 nm and ∼ 1.43 µm, respectively. Jonscher's power law is satisfactorily adapted to conductivity data (AC). The appropriate model is the barrier hopping model (CBH). The continuous electrical conductivity (DC) shows that the conduction process is thermally activated and the sample exhibits semiconductor behavior. The dielectric permittivity (ε) decreases when the frequency increases. This diminution can be explained using the Maxwell–Wagner’s theory of interfacial polarization. The spectra of the complex impedance prove the presence of a relaxation phenomenon of the non-Debye type. Using electrical modulus measurements, we find that the relaxation is thermally activated and is attributed to the Maxwell-Wagner (M−W) space charge relaxation phenomenon. The activation energy (Ea) is of the order of 0.623 eV.

To accurately evaluate the phase effects of MnOx in Mn-Ce catalysts towards to low temperature NOx removal performance with NH3, MnCO3@CeCO3OH was synthesized firstly and decomposed to MnO2@CeO2, Mn2O3@CeO2 and Mn3O4@CeO2 with similar size and morphology, this will avoid the influence of size and morphology on the experimental results. Experimental results show that the MnO2@CeO2 exhibiting the best NO conversion ratio, which achieved nearly 96.5 % at a low temperature of 150 °C, and the catalytic performance order of MnOx@CeO2 is determined as: MnO2@CeO2 > Mn2O3@CeO2 > Mn3O4@CeO2 below 200 °C, and MnO2@CeO2 > Mn2O3@CeO2≈Mn3O4@CeO2 at range of 200 –400 °C. But the N2 selectivity of Mn2O3@CeO2 reaches 96 % at 100 °C which was higher than that of MnO2@CeO2 and Mn3O4@CeO2. Characterizations including BET, XRD, SEM, H2-TPR, NH3-TPD and FTIR show that MnO2@CeO2 has maximum specific surface area, a stronger redox ability, and more surface acid sites.

Strontium hexaferrites possess magnetic tunability. Most commonly, they are modified with different synthesis processes and the substitution of different elements at Fe or Sr lattice sites. A composition of sol-gel auto-combustion synthesized SrFe8-xAl4ZnxO19 (0 ≤ x ≤ 1) hexaferrites is studied in the present work with the objective of improving the magnetic parameters of strontium hexaferrite magnets. The effect of Zn substitution in the SrFe8Al4O19 hexaferrite is studied on the structural, magnetic, dielectric, and electrical properties. The energy density (BH)max is effectively improved to 19.15 MGOe, which makes this low-cost magnet beneficial in different permanent magnet applications. The dielectric properties have revealed the typical behavior of hexaferrites. It is explained according to the Maxwell-Wagner theory and the Koop model. This work is expected to propose an economical and effective alternative to rare-earth-based permanent magnets.

This paper reports the efficacity of an organoclay, obtained through the chemical modification of raw clay (RC) with Cetyltrimethylammonium Bromide (CTAB) surfactant, as an adsorbent for the elimination of methyl orange (MO), an anionic dye, from synthetic aqueous solution. The physicochemical properties of RC and modified clay (MC) are characterized by FTIR, XRD, and SEM-EDX. The Box Benhken design-based response surface methodology (RSM) was used to evaluate the interaction between three important independent variables (pollutant concentration, adsorbent mass, and dye solution pH). The removal efficiency of the MO was proportional to the pH and dose of the composite, and the maximum adsorption of the MO (99%) was obtained by using under optimal experimental conditions of 0.5 g adsorbent dose, 60 min reaction time and pH of 6. The analysis of the obtained adsorption results indicated that the Langmuir isotherm model described perfectly the adsorption process, with a maximum uptake of 15.58 mg/g. The adsorption kinetics were found to follow the pseudo-second order model. The composite was reusable for 5 cycles without significant loss of adsorbent activity.

A 3,5-dichlorosalicyaldehyde appended trisbuffer Schiff base (receptor DCT) was synthesized and the compound formation was confirmed with 1H, 13C NMR, LCMS and HRMS spectral techniques. The functional groups present and photophysical studies of receptor were confirmed by IR, and UV-Vis spectral analyses. Under 365 nm UV light lamp, receptor DCT could emit crimson blue light, emission enhancement was observed duration the addition of Zn2+. It was found to be a good linear relationship between DCT and Zn2+ with a detection limit of 1.16×10-9 mol L-1. The stoichiometry of binding of DCT towards Zn2+ was calculated from the jobs plot with a binding constant of 9.85×104 M-2. The fluorescence intensity measurement results indicated that receptor DCT is an admirable, sensitive, and selective determination of Zn2+ ion in a (8:2, CH3CN: H2O, v/v) semi-aqueous medium. To achieve practical application of receptor DCT is tested to monitor Zn2+ in water from lake and tap water sample analysis. Also, the receptor was utilized in test strip development to recognize Zn2+ ion.

Nanotechnology provides a cost-effective way to apply commercial-level metal-oxidizing nanoparticles that are used as cardioprotective agents. Innovative nanoparticle transactions could transform medical cardioprotective devices. Nanostructured materials have unique physical and chemical properties promising for cardiovascular equipment. Among the interesting features are narrow size, high surface area, high reactivity, high biological interaction and functional structure. In this study, we prepared, characterized, and investigated the cardioprotective effects of copper nanoparticles green-formulated by Berberis vulgaris leaf extract. In characterization, fourier-transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), ultraviolet–visible spectroscopy (UV-Vis), and transmission electron microscopy (TEM) were applied. In the in vivo design, isoproterenol (40 mg/kg) was administered to induce myocardial ischemia in C57BL/6 mice. Copper nanoparticles at different doses (15, 30 and 60 μg/ml) were used for the treatment of mice. Copper nanoparticles exerted cardioprotective properties against isoproterenol-induced myocardial ischemia in mice, which may associated to the peroxisome proliferator-activated receptor gamma (PPAR-γ) activation and nuclear factor kappa B (NF-κB) signaling inhibition. The copper nanoparticles beneficial effects were related to the normalization in PPAR-Υ and PPAR-Υ/NF-κB/ΙκB-α/ΙΚΚα/β phosphorylation gene expression. Treatment with copper nanoparticles significantly suppressed the inflammation cytokines expression and decreased cell death. Also, copper nanoparticles administration significantly prevented the typical ST segment depression. In addition, copper nanoparticles treatment significantly ameliorated ventricular wall ischemia, reduced the mortality incidence, and inhibited the myocardial injury markers levels. Copper nanoparticles treatment decreased the inflammatory milieu in the myocardial ischemia mice heart, thereby blocking the proinflammatory cytokines upregulation (interleukin-1β (IL-1β), tumor necrosis factor alpha (TNFα) and interleukin 6 (IL-6)). After doing the clinical trial studies, the recent copper nanoparticles can be used as a novel cardioprotective drug in human.

Ag/AgCl and Au BNPs were synthesized using Azadirachta indica aqueous leaf extract along with their respective MNPs. The BNPs were synthesized in core–shell and alloy structures. The as-synthesized NPs upon characterization showed their specific SPR in the range of 423 nm to 557 nm. Average particle size distribution (73.74 – 171.45 nm) and surface charge (-17.96 - –33.11 mV) were also investigated. The as-synthesized NPs were crystalline nature with average crystallite size in the range of 5.68 nm to 13.25 nm. Only Ag/AgCl-Au BNPs (alloy) showed antibacterial activity against the test bacteria. Role of NPs in the degradation of Rh-B and MO dyes were investigated in the presence of SBH. Ag/AgCl-Au BNPs (alloy) showed maximum degradation of Rh-B (97.22 ± 1.97%) and MO (96.67 ± 2.15%) under 36 min and 75 min with 0.108 min−1 and 0.051 min−1 pseudo-first order rate constant, respectively. Influence of physicochemical parameters such as NPs concentration, SBH concentration, degradation temperature and pH were also investigated to achieve maximum degradation in less time. Furthermore, recyclability of NPs was also investigated to determine the reusability.

Herein, we present the synthesis and biological activity of novel Schiff bases, namely 2-(((2-((2-hydroxyethyl)amino)ethyl)imino)methyl)phenol (L1) and 4-bromo-2-(((2-((2-hydroxyethyl)amino)ethyl)imino)methyl)phenol (L2), along with the corresponding palladium complex of L1 [N-(2-hydroxyethylamino)ethylsalicylaldiminato]-palladium(II) chloride] [Pd(L1)Cl]. Our study encompasses an evaluation of their acute toxicity and anticancer potential, as well as molecular docking simulations to elucidate their mechanisms of action. The compounds were characterized using various techniques, such as 1H NMR and 13C NMR. In addition, L2 was characterized using single-crystal X-ray diffraction (XRD). The toxicological results, along with biochemical and hematological analyses, revealed that a dose of 2 g/kg for L1 and 100 mg/kg for [Pd(L1)Cl] had no toxicological effects on mice. However, L2 displayed slightly higher toxicity, resulting in the death of a mouse at a dose of 2 g/kg, likely attributable to the presence of bromine. Notably, both the synthesized Schiff bases and the palladium complex exhibited cytotoxicity against four types of cancer cells: HT-1080, A-549, MCF-7, and MDA-MB-231 cell lines. Among them, the palladium complex demonstrated the most potent activity, with respective IC50 values of 13.24 ± 1.21, 25.24 ± 0.91, 38.14 ± 1.19, and 31.21 ± 2.56 µM against HT-1080, A-549, MCF-7, and MDA-MB-231. Investigating the mechanism of action of the highly cytotoxic compound [Pd(L1)Cl], we found that it induced apoptosis by activating caspase-3/7 and caused G2/M-phase arrest while leading to the loss of mitochondrial membrane potential specifically in HT-1080 cells.

Synthetic dyes are among the common pollutants in the ecosystem. In the present study, polypyrrole (PPy) was prepared and subsequently assessed for the removal of methylene blue (MB) and methyl orange (MO) from synthetic solution. PPy powders were successfully synthesized through chemical oxidative polymerization, utilizing varying molar ratios of ferric chloride (FeCl3) to pyrrole (Py) monomer. The effects of FeCl3:Py molar ratios ranging from 1:1 to 4:1 were investigated in terms of electrical and optical properties, as well as organic dye adsorption performance. The electrical conductivity reached its maximum value of 3.42 × 10−2 S/cm at the optimum FeCl3:Py molar ratio of 2:1 (P2), while it displayed the lowest optical bandgap energy of 3.72 eV. Beyond this molar ratio, both electrical conductivity and optical bandgap energy exhibited a declining trend. Additionally, the adsorption behavior of PPy samples with different FeCl3:Py molar ratio was indicated that the P2 sample exhibited the highest adsorption capacity for MO, reaching 84.65 mg.g−1 after 120 min, while its adsorption capacity for MB was 73.84 mg.g−1. The phase characterization using XRD analysis revealed the amorphous nature of the PPy powders, and FTIR results exhibited minor changes in peak intensity with increasing FeCl3:Py molar ratio. The synthesized PPy samples exhibited an average particle size ranging from 0.344 to 0.703 µm and a BET surface area of 2.27–3.56 m2.g−1. Besides, morphological analysis unveiled the presence of globular particles with a cauliflower-like structure, varying in size. The findings of this study hold significant implications for the fabrication of electronic devices based on PPy. Furthermore, the synthesized PPy samples exhibited promising adsorption capabilities for the removal of dyes, 84.65 mg/g for MO and 73.84 mg/g for MB dyes after 120 min, emphasizing their potential utility in environmental remediation applications.

A novel 1D polymeric chains material (C5H6ClN2)[CdCl3H2O].H2O perovskite was successfully synthesized with the use slow evaporation process. According to the single-crystal X-ray diffraction, the structure was deduced to crystallize in the monoclinic system (space group P21/n, no 14), with the cell parameters a = 17.8596 (9) Å, b = 7.5766 (2) Å, c = 18.2245 (9) Å, and β = 95.068 (4)°. The crystal packing is composed of infinite polymeric chains of [CdCl3H2O]n-n, that form with the organic cations layers parallel to the (10–1) plane and are held together by multiple H-bonds and Van der Waals interactions. The supramolecular assembly was also explored by the Hirshfeld surface study. The IR spectroscopic investigations were described to confirm the organic group's existence and define the corresponding vibration modes. The optical study was also used to show the semiconducting behaviour of this compound, which showed relatively low gap energy 2.8 eV, promising for diverse applications especially in tandem solar cells. The Arrhenius relation may be used to explain the conductivity of the material. In addition, the graphs of Z' and Z“ versus frequency were a perfect match to an equivalent circuit model, which was represented as a resistance linked in series with two parallel circuits (R//CPE). The chemical properties of the studied metal complex were investigated, and the properties of nonlinear optical effects (NLO) were also calculated. The molecular docking approach was utilized to determine the studied compound's interactions with breast, lung, liver, and colon cancer proteins, which were then examined in detail with PLIP analysis. In contrast, the Swiss-ADME analysis was performed to examine its pharmacological properties. Pathogenic microorganisms like Klebsiella pneumoniae and Staphylococcus aureus were also used to test how well the cadmium complex and antibiotics work together.

Dyes and heavy metals have raised an increasing number of pollution incidents and causes detrimental effects on living organisms. Therefore, this research aims to evaluate the effectiveness of a nanocomposite composed of egg albumen-mediated hematite nanoparticles (αFe2O3) and reduced graphene oxide decorated with αFe2O3 (RGO- αFe2O3 NCs). This nanocomposite has remarkable adsorbing properties for methylene blue, methyl orange, and cadmium (II) followed by their anticancer and antimicrobial activities. The RGO-αFe2O3 NCs were characterized by XRD, SEM/EDAX, FTIR, and TEM analysis. At the optimal reaction conditions, the adsorption capability of these RGO-αFe2O3 NCs was demonstrated by their impressive ability to remove methylene blue, methyl orange, and cadmium (II) with efficiencies of 92.110%, 87.240%, and 89.500%, respectively. At 303 K, The Langmuir adsorption isotherm model accurately represented the adsorption equilibrium data of methylene blue, methyl orange, and cadmium (II). The maximum monolayer adsorption capacity was calculated to be 128.205 mg/g, 64.930 mg/g, and 84.746 mg/g, respectively. RGO-αFe2O3 NCs were also observed to be potent antimicrobial agents against pathogenic bacteria Staphylococcus aureus (S. aureus) and intestinal bacteria Escherichia coli (E. coli), as well as a promising anticancer agent against human lung cancer cells A549. The powerful antibacterial and anticancer properties of RGO-αFe2O3 NCs are a result of the combined apoptotic and bacteriostatic effects of Fe2+ ions and graphene sheets, which enhance the production of ROS.

The purpose of this study is to improve the corrosion resistance of zinc rich epoxy coatings (ZRECs) by replacing Zn powders with ZnAl alloy powders, and to improve the biological corrosion resistance by adding 2-n-Octyl-4-isothiazolin-3-one (OIT). The special effect of ZnAl alloy powders in epoxy coatings was studied by electrochemical analysis and salt spray test. The samples before and after salt spray test were characterized by X-ray diffraction and Fourier transform infrared spectroscopy. The effects of different metal powders on the corrosion resistance of the coatings were considered. The surface and cross-sectional morphology of the coating were analyzed by SEM. The results show that the use of flake ZnAl alloy powders to replace Zn powders can reduce the pigment content by one-third. The ZnAl coatings and ZnAl@OIT coatings are denser than the Zn coatings, at the same time, the addition of OIT does not significantly reduce the coating impedance, but increases the mildew resistance of the coatings.

Due to the significance of silver nanoparticles (AgNPs) in the environmental area and their distinctive physicochemical characteristics, the use of plant extracts for their production has garnered attention from all over the world. In this study, Kalanchoe tubiflora (K. tubiflora) leaf extract was used for the synthesis of Kt-AgNPs. A series of techniques such as UV–visible spectroscopy, FTIR, XRD, HRTEM, SEM, and EDS analysis were used to characterise the synthesized nanoparticles. Additionally, the antibacterial activity, multimode antioxidant potentials, cytotoxic activities, and protein kinase inhibition were established. The intense UV–Visible peak was observed at 444 nm for the fabricated Kt-AgNPs. Also the FTIR spectra, afforded the bands for proteins N–H vibrations and carboxylic acids C = O functional groups that are accountable for the fabricated AgNPs stability. Moreover, the 111 XRD peak confirmed the crystalline sizes (CS) of the resulting AgNPs between 10 nm and 17 nm. Moreover, in the antibacterial activity the nanoparticles exhibited the highest activity against B. bronchiseptica (P < 0.05) with a growth inhibition zone of 18 ± 1.75 mm compared to the plant extract (11 ± 1.23 mm). Also, Kt-AgNPs showed the highest DPPH scavenging activity (88%), antioxidant capacity (115.12 ± 1.11 µgAAE/mg), and anti-reducing power (80.53 ± 0.77 µgAAE/mg) activities compared to the extract. In conclusion, in this study for the first time the Kt-AgNPs were prepared using K. tubiflora extract by optimizing the conditions regarding the AgNO3: extract ratio, pH, temperature etc. That might lessen the difficulties currently facing Kt-AgNPs growth in the disciplines of biotechnology and chemical engineering, and it might also indicate where Kt-AgNPs might go in the future.

Anthracene (ANTH) is a difficult to degrade polycyclic aromatic hydrocarbon that can find its way into water bodies through the food chain. In this study, oxidative degradation of anthracene (ANTH) in aqueous solution was undertaken using cobalt ion activated peroxymonosulphate (PMS) that relies on the action of strongly oxidizing sulphate radical anion (SO4•−) and hydroxyl radical (•OH). Following the often-reported tendency of natural organic matter to interfere with water treatment interventions, the effect of humic acid (HA) on the oxidative degradation process and efficiency was assessed as well. Results obtained show clearly that Co-activated PMS was very efficient for the degradation of ANTH in water, with complete degradation achieved within 90 min. Degradation was achieved following a 3-stage profile, involving an initial rapid degradation stage, an intermediate slower step and a final steady state degradation state. HA manifested both beneficial and adverse effects on ANTH degradation, modifying the 3-stage degradation mechanism, delaying the process, but not necessarily the final outcome of complete degradation. The local reactivity of ANTH molecule was modelled via quantum chemical computations, which enabled identification of electron-rich regions on the molecule, where attack by oxidizing species would be initiated. This study has shown that the PMS/Co oxidation process is effective for treating anthracene contaminated water, even in the presence of natural organic matter.

Harmful organic dyes have been identified among the pollutants within industrial effluents. The photodegradation process, which utilizes carbon-based and metal-oxide semiconductors, is recognized as the most cost-effective method used for the elimination of organic dyes. The current study aims to fabricate pure graphitic carbon nitrate (g-C3N4), zirconium dioxide@ graphitic carbon nitrate (ZrO2@g-C3N4), and magnesium oxide @ zirconium dioxide@ graphitic carbon nitrate (MgO@ZrO2@g-C3N4 denoted as Mg@Zr@CN) photocomposite by ultrasonication for the photodegradation of alizarin red (ARS) dye from aqueous solutions. The formation of the mesoporous nanocomposite Mg@Zr@CN was confirmed by X-ray diffraction, scanning electron microscopy observations, and energy dispersive X-ray analysis. Under the visible-light irradiation, the efficiencies of pure CN, Zr@CN, and Mg@Zr@CN nanocomposites were evaluated for 1 h. The influence of the operating parameters including pH and dye concentration, on dye removal performance was examined. From the obtained results, Mg@Zr@CN nanocomposite showed the highest efficiency of about 92% at an optimal pH of 7 and an initial ARS concentration of 10 ppm. Furthermore, the fabricated Mg@Zr@CN nanocomposite recorded a maximal rate constant and shorter half-life compared with pure CN and Zr@CN. Additionally, the reactive species scavengers were studied throughout the degradation process, where *OH and h+ were found to be the main species breaking down ARS molecules into CO2 and H2O. The suggested photocatalyst was found to break down ARS dyes quickly and effectively, which makes it a cost-effective and safe material to clean up synthetic dye-polluted wastewater.

As a common volatile organic compound (VOC), ethanol plays an important role in daily life, but its flammable and explosive properties pose a potential threat to human life safety. Therefore, it is necessary to detect ethanol gas at room temperature. We synthesized In-BTC by oil bath method, calcined the In2O3 nested hierarchical structure, and finally obtained Au-In2O3 nested hierarchical structure by liquid phase reduction method. Through the characterization results, it can be found that Au-In2O3 nested hierarchical structure has been successfully synthesized. The gas sensing results show that the response of the Au-In2O3 nested hierarchical structure sensor under 50 ppm ethanol gas is about 18.96 at room temperature, and the response/ recovery time is 5 s and 11 s, respectively. At the same time, the sensor exhibits good selectivity and stability. Therefore, the Au-In2O3 nested hierarchical structure prepared in this paper has good sensing performance for ethanol, so it has broad application prospects in monitoring and detecting ethanol gas.

A novel Cd(II)-MOF, namely {[Cd3(L)2(bib)2]}n 1 (H3L = 5-((2-carboxyphenoxy)methyl)benzene-1,3-dioic acid and bib = 1,1′-(1,4-butanediyl)bis(imidazole)) was successfully prepared by hydrothermal synthesis. Single crystal and powder X-ray diffraction, infrared spectroscopy and elemental analysis were used to characterize compound 1. This compound reveals an 8-connected three-dimensional framework with point symbol of {424·64}. The sensing experiment of compound 1 demonstrates excellent sensing performance for Fe3+ with fast response time and recycling stability.

Nanostructures of indium sulfide and nickel doped indium sulfide were analyzed using XRD, FTIR, FE-SEM, EDX, UV-Vis DRS, PL, and XPS. XRD reveals the crystallinity, orthorhombic structure of the sample and the average crystallite size has risen from 10 to 19 nanometers. The accumulation of nickel in varying proportions with In2S3 causes the absorption bands to shift gradually and the peaks to be sharpen in the FTIR spectrum, the irregularly shaped agglomeration and well-dispersed nanoparticles to be observed as spherical-shaped structure using FE-SEM and the elemental composition to be confirmed in EDX. In the wavelength range of 300nm to 1400 nm, UV-Vis DRS reveals the reflectance edges of both pure and doped samples. The optical band gap energy of pure In2S3 is 2.80 eV and it declines as nickel dopants are added from 2.70 eV to 2.66eV and to 2.56 eV. PL spectra show the emission peaks of Ni-In2S3 nanoparticles are at 449nm, 505 nm and 568 nm, the elemental composition is evaluated in detail using XPS, and the degradation efficiency of methylene blue is 85% for Ni-In2S3 photocatalyst, which performs better than undoped In2S3 (82%) under natural sunlight irradiation. Compared to nanoparticles of undoped In2S3, Ni-In2S3 improved photocatalytic activities for wastewater treatment and electrochemical performance for supercapacitor.

The semi-organic nonlinear optical material of 5-(2-azaniumyl-2-carboxyethyl)-1H-imidazol-3-ium dimethanesulfonate has been grown as good quality single crystals through the Slow Evaporation Solution Growth technique (SEST). Single crystal XRD study of the titled compound was carried out to unfold the structural information. The study revealed that the grown crystal has a monoclinic structure under non-centrosymmetric space group. The Hirshfeld surface analysis and 2D fingerprint plots were employed to determine the intermolecular interaction in the crystal structure of the compound. Thermal properties of the compound were confirmed through TGA/DTA/DTG analysis and found that no significant weight loss of the compound appears up to 221 °C. In the DTA curve, the endothermic peak obtained at 182 °C, accounts for the decomposition of the compound. Whereas, the specific heat of the material was determined through DSC in which an exothermic peak is obtained at 181.86 °C. This peak represents the maximum specific heat of the material which comes out to be 16.845 J/g °C at 181.86 °C. The Heteronuclear chemical shift correlation (HETCOR) analysis based on 2D NMR spectroscopy was performed to determine the carbon-hydrogen bonding within the compound. UV-VIS- NIR spectroscopy was performed to find the energy band gap of the titled compound. The Stability of the material against highly intense laser was determined through the Laser damage threshold (LDT) value. The mechanical stability of the sample crystal was analysed through shock damage threshold (SDT) after the application of different shocks. With pre and post application of shocks, the Powder XRD of the sample was carried out. The SHG efficiency of the powdered sample was measured using Nd: YAG laser taking KDP as reference material.