General Chemical Formula Research Articles

Testing the Influence of Laser Pulse Energy and Rate in the Atom Probe Tomography Analysis of Minerals.

The use of atom probe tomography (APT) for mineral analysis is contributing to fundamental studies in Earth Sciences. Meanwhile, the need for standardization of this technique is becoming evident. Pending the use of mineral standards, the optimization of analysis parameters is needed to facilitate the study of different mineral groups in terms of data collection and quality. The laser pulse rate and energy are variables that highly affect the atom evaporation process occurring during APT analysis, and their testing is important to forecast mineral behavior and obtain the best possible data. In this study, five minerals representative of major groups (albite, As-pyrite, barite, olivine, and monazite) were analyzed over a range of laser pulse energies (10-50 pJ) and rates (100-250 kHz) to assess output parameter quality and evaluate compositional estimate stoichiometry. Among the studied minerals, As-pyrite, with the higher thermal conductivity and lower band gap, was the most affected by the laser pulse variation. Chemical composition estimates equal or close to the general chemical formula were achieved for monazite and As-pyrite. The analysis of multihit events has proved to be the best strategy to verify the efficacy of the evaporation process and to evaluate the best laser pulse setting for minerals.

Synthesis of zircon pigments from rice husk ash and their performance in ceramic glaze

ZrSiO4-based pigments have been known to be very stable in ceramic glazes but require a high firing temperature required for phase formation. This study examined the feasibility of using rice husk waste as a substitute for crystalline SiO2. The amorphous form of silica with some impurities was obtained by calcining the rice husk at 800℃. The general chemical formula were (Zr0.9M0.1)SiO4, where M = V, Pr, Fe and Cr. The solid-state processing was achieved by firing at 1300℃ for 12 h with NaF (5 wt%). X-ray Diffraction revealed a lower relative fraction between ZrO2 (secondary phase) and ZrSiO4 in the RHA systems compared to the oxide system for all dopants. Amorphousness of RHA did help enhance phase formability. The particle sizes were in the 3 µm to 5 µm range. Elemental analysis revealed some areas with intense signals of zirconium, indicating unreacted ZrO2 particles. Colorations appeared to be blue, yellow, brown and green for dopants of V, Pr, Fe and Cr, respectively. Technological performance was tested in a practical ceramic glaze and frequently used raw materials fired at its maturation point. The results of this study hold huge potential for using rice husks for sustainable manufacturing of pigments as green products.

Lanthanide-Based Coordination Polymers Molecular Alloys Stability: A Thermochemical Approach

In this study, we investigate the thermodynamics of lanthanide-based coordination polymer molecular alloys. We demonstrate that if lanthanide ions have many chemical similarities, the solubility of homo-lanthanide-based coordination polymers can vary significantly from one lanthanide ion to another. Indeed, we experimentally determine the solubility constants of a series of isostructural homo-lanthanide coordination polymers, with general chemical formula [Ln2(bdc)3(H2O)4]∞ with Ln = La-Er plus Y and where bdc2- symbolizes 1,4-benzene-di-carboxylate. Then, we extend the study to two series of isostructural molecular alloys with general chemical formula [Ln2xLn'2-2x(bdc)3(H2O)4]∞ with 0 ≤ x ≤ 1 based either on heavy ([Eu2xTb2-2x(bdc)3(H2O)4]∞) or light ( [Nd2xSm2-2x(bdc)3(H2O)4]∞) lanthanide ions. We found that whatever the solubility difference of the homo-nuclear compounds is, the configurational entropy is the main driving force of the stabilization of molecular alloys.

Growth and structural characterization of Tutton salt mixed of Co and Ni

The family of crystals known as Tutton's salts plays a significant role in physics and chemistry; because they are used in phase transition studies and to define models applied to materials. The importance of salts in material engineering is recent, as in applications in adiabatic degaussing refrigerators and solid-state anodes. Studies of the (NH4)2Ni(SO4)2∙6H2O and (NH4)2Co(SO4)2·6H2O are widely found in literature but do not occur for the mixture of both. In this research, we studied mixed crystals of the general chemical formula (NH4)2NixCo(1-x)(SO4)2·6H2O with x ranging from 0 to 1, utilizing x = 0.7. The objective is to study the modifications caused owing to the ion's weighted composition in the formation of the solid solution and compare it with the pure salts. For this, the growth of these crystals is discussed based on ICP-OES results and optical microscopy concerning the crystal growth theory. The discussion also relates the Raman spectra of the salts with molecular changes according to structured group theory, qualitatively characterizing its crystalline structure. Finally, a Single-crystal X-ray study solves and confirms the structure of pure salts and mixed salt, quantitatively characterizing their crystal structure.

Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound

In this paper, a novel hybrid material, entitled histaminium bis(trioxonitrate), with the general chemical formula (C5H11N3)(NO3)2, denoted by HTN was presented. Single-crystal X-ray diffraction was used to determine the structural characteristics of this compound after it was made using a slow evaporation method at room temperature. This compound was elaborated and crystallized to the monoclinic system with space group P21/c, and the lattice parameters obtained were: a = 10.4807 (16)Å, b = 11.8747 (15)Å, c = 16.194 (2)Å, β = 95.095 (6)°, V = 2007.4 (5)Å3 and Z = 8. The title compound's atomic structure couldbe modeled as a three-dimensional network. Organic cations and nitrate anions were connected via N-H...O and C-H...O hydrogen bonds in the HTN structure. The intermolecular interactions responsible for the formation of crystal packing were evaluated using Hirshfeld surfaces and two-dimensional fingerprint plots. The compound's infrared spectrum, which ranged from 4000 to 400 cm-1, confirmed the presence of the principal bands attributed to the internal modes of the organic cation and nitrate anions. Additionally, spectrofluorimetry and the ultraviolet-visible spectrum was used to investigate this compound. DFT calculations were used to evaluate the composition and properties of HTN. The energy gap, chemical reactivity and crystal stability of HTN were quantified by performing HOMO-LUMO frontier orbitals analysis. Topological analysis (AIM), Reduced Density Gradient (RDG), molecular electrostatic potential surface (MEPS) and Mulliken population were processed to determine the types of non-covalent interactions, atomic charges and molecular polarity in detail.

Emerging Trends and Recent Progress of MXene as a Promising 2D Material for Point of Care (POC) Diagnostics.

Two-dimensional (2D) nanomaterials with chemical and structural diversity have piqued the interest of the scientific community due to their superior photonic, mechanical, electrical, magnetic, and catalytic capabilities that distinguish them from their bulk counterparts. Among these 2D materials, two-dimensional (2D) transition metal carbides, carbonitrides, and nitrides with a general chemical formula of Mn+1XnTx (where n = 1-3), together known as MXenes, have gained tremendous popularity and demonstrated competitive performance in biosensing applications. In this review, we focus on the cutting-edge advances in MXene-related biomaterials, with a systematic summary on their design, synthesis, surface engineering approaches, unique properties, and biological properties. We particularly emphasize the property-activity-effect relationship of MXenes at the nano-bio interface. We also discuss the recent trends in the application of MXenes in accelerating the performance of conventional point of care (POC) devices towards more practical approaches as the next generation of POC tools. Finally, we explore in depth the existing problems, challenges, and potential for future improvement of MXene-based materials for POC testing, with the goal of facilitating their early realization of biological applications.

Williamson-Hall and Size-strain plot based micro-structural analysis and evaluation of elastic properties of Dy3+ substituted Co-Zn nano-spinels

Polycrystalline Co-Zn nanoferrites doped with rare earth Dy3+ ions having general chemical formula Co0.9Zn0.2DyxFe1.9-xO4 (x = 0.0, 0.015, 0.03, 0.045 and 0.06) were synthesized via sol-gel auto-combustion route. Powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform Infrared Spectra (FTIR) were performed to investigate the structural, microstructral, surface morphology and elastic properties. Well indexed XRD patterns confirm the phase purity and cubic spinel structure of the samples. Fractional doping of Dy3+ ions shifts the Bragg’s lines slightly towards the lower angles which in turn increases the lattice lengths from 8.3795 Å to 8.3834 Å. The strain induced in the crystal lattice was estimated by using Williamson-Hall and Size – Strain Plot methods. Both methods confirm that the tensile type strain was induced in the crystal lattice and increases with the substitution of Dy3+ ions. Surface morphology of the samples was studied by using SEM images which reveals that the grains are almost spherical in nature and the size obtained is analogues with XRD results. FTIR spectra shows the existence of two main absorption bands within the wave number range 388 – 586 cm−1 which confirm the characteristics of spinel ferrites. Elastic properties were estimated by using FTIR data. Elastic moduli and Debye temperature increases with the substitution of Dy3+ ions which are interpreted on the basis of interatomic bondings.

Термодинамика спинового льда на решетке антиперовскита в приближении кластеров

Low-temperature thermodynamic properties of spin ice have been studied for compounds with the structure of antiperovskite containing rare-earth ions with the general chemical formula Romeo (where Re is a rare-earth element, Me is a divalent metal). The calculations were carried out in the cluster approximation. The cases of undistorted and distorted ORE 6 octahedron are discussed. In the case of an undistorted octahedron in the absence of an external magnetic field, the ground state of the system is infinitely degenerate. When an external magnetic field is applied, anomalies in the temperature dependences of heat capacity, entropy and magnetization are detected. In the case of a distorted octahedron and assuming that this distortion leads to the energy efficiency of two of the sixty-four configurations, it is obtained that there is a phase transition in the system of magnetic rare-earth ions

Optoelectronic behavior of some spinel oxides for sustainable engineering

Spinel oxides have a pivotal role in material science due to their structural, electrical, magnetic and optical properties, rendering them essential for wide range of applications. Spinel oxides, characterized by their spinel crystal structure, belong to a group of inorganic compounds with a general chemical formula of AB2O4, where A and B represent distinct metal ions. These compounds are frequently encountered in minerals, rocks, and soils, and their versatility makes them invaluable in numerous domains, including catalysis, energy storage, electronics, and ceramics. This paper briefly reports existing fascinating structural, opto-electronic properties of some spinel oxides, to understand electronic band structure, density of states and optical properties such as dielectric function, refractive index, absorption, reflectivity and optical conductivity for their applications in engineering devices. Basically, spinel compounds have physical properties such as high reflectivity, high melting point, high strength and chemical resistivity at elevated temperatures as well as low electrical loss. Therefore, we have made an attempt to showcase considered properties of these materials at one place.

Lithium, Phosphorus, and rare earth elements in magmatic garnets from granitic Pegmatites: Coupled substitution and petrogenetic implications

The general chemical formula of garnet can be expressed as X3Y2(ZO4)3 where X, Y, and Z represent dodecahedral, octahedral, and tetrahedral sites, respectively. Lithium, phosphorus, and rare earth elements (including yttrium) in garnets from the Luanzhuang-Guanpo and Ziyugou (ZYG) pegmatite fields in the East Qinling orogen and the Kalu’an (KLA) Li pegmatites in the Chinese Altay orogen have been investigated both at a mineral scale and in the context of pegmatite types to identify the substitution mechanisms for these elements. Our results show that Y + REE or P can enter the garnet lattice through coupled substitution with Li (+Na) that can compensate the charge differences due to Y + REE in the X-site or P in the Z-site of the garnet. Two substitutions, namely [X(Li,Na)+1X(Y,REE)3+1(R2+)–2] and [X(Li,Na)1ZP1XR2+-1ZSi-1], are likely the most important and can account for incorporation of the majority of Y + REE, P, and Li + Na in pegmatite garnets. Whichever substitution becomes predominant in garnets is strongly dependent on the bulk chemistry of pegmatite-forming melts. Consequently, the first substitution dominates in garnets from NYF (niobium-yttrium-fluorine) pegmatites and mixed-type pegmatites with NYF affinity whereas the other one dominates in garnets from relatively P-rich LCT (lithium-cesium-tantalum) and barren pegmatites. Incorporation of Sc and Ti in garnet may also need Li + Na, although Sc and Ti are not as much as Y and REE in pegmatite garnet. The zonings of Y, REE, and Sc in garnet are mainly controlled by the composition of pegmatite-forming melt and consumption of these elements due to the growth of garnet itself and other minerals enriched in Y + REE (e.g., xenotime, fergusonite, monazite, etc.) or Sc (e.g., biotite). Additionally, our results, combined with the data in the literature, show that garnets from NYF pegmatites and mixed-type pegmatites with NYF affinity commonly contain elevated Y (up to ∼ 20000 ppm), REE (up to ∼ 20000 ppm), and Sc (up to ∼ 2400 ppm) but low P (<100 ppm) compared to those from LCT and barren pegmatites. Nevertheless, individual garnets with low concentrations of Y, REE, Sc, and P can occur in any types of pegmatites. Therefore, the coupled substitution between Li + Na and Y + REE or P along with zonings and concentrations of Y, REE, and Sc in garnet should be investigated on a regular basis to interpret pegmatite petrogenesis.

Electronic State Modulation by Large A-Site Cations in Quasi-Two-Dimensional Organic–Inorganic Lead Halide Perovskites

Organic–inorganic lead halide perovskites (OLHPs) with the general chemical formula of APbX3 have attracted wide interest for their application in the optoelectronics field within the past decade. Despite the performance breakthroughs enabled by modifying A-site cations, a fundamental understanding of the mechanistic origins is still largely neglected. Especially, the critical role of A-site cations in modulating the physicochemical properties of perovskites is challenging to reveal because the choice of A-site cations is limited by the geometrical Goldschmidt tolerance factor. Herein, we for the first time successfully incorporated two large A-site cations in the lead halide cage by relaxing the tolerance factor in a 2D Ruddlesden–Popper system, and we obtained two novel single crystals, namely, (PA)2(Gua)Pb2I7 and (PA)2(Ace)Pb2I7, where PA = n-pentylamine, Gua = guanidine, and Ace = acetamidine. The sizes of Gua (278 pm) and Ace (277 pm) are almost identical and thus enable us to individually study the influence of other properties of the A-site cation on the optoelectronics properties including the polarity, electron donating abilities, etc. By combining with first-principles theoretical perspectives, we deliver insights into the electronic and structural features of perovskites associated with A-site electron donating properties. This adds more versatility to the roles of the A site cations in OLHPs.

Topological states in Chevrel phase materials from first principles calculations

Chevrel phase materials form a family of ternary molybdenum chalcogenides with a general chemical formula ${A}_{x}{\mathrm{Mo}}_{6}{X}_{8}$ $(A=\text{metal elements},X=\text{chalcogen})$. The variety of $A$ atoms makes a large number of family members and leads to many tunable physical properties, such as the superconductivity, thermoelectricity, and the ionic conductivity. In this work, we have further found various nontrivial band topological states in these materials by using first-principle calculations. The compounds having time-reversal symmetry, such as ${\text{BaMo}}_{6}{\text{S}}_{8}, {\text{SrMo}}_{6}{\text{S}}_{8}$, and ${\text{Mo}}_{6}{\text{S}}_{8}$, are topological insulators in both of the $R\overline{3}$ and $P\overline{1}$ phases, whereas ${\text{EuMo}}_{6}{\text{S}}_{8}$ within ferromagnetic state is an axion insulator in the $R\overline{3}$ phase and a trivial one in the $P\overline{1}$ phase. This indicates that the change of $A$ ions can modify the chemical potential, lattice distortion, and magnetic orders, which offers a unique way to influence the topological states and other properties. We hope this work can stimulate further studies of Chevrel phase materials to find more intriguing phenomena, such as topological superconducting states and Majorana modes.

Investigation of Intermetallic Energy Transfers in Lanthanide Coordination Polymers Molecular Alloys: Case Study of Trimesate-Based Compounds.

Reactions in water at ambient temperature and pressure between a lanthanide ion and benzene-1,3,5-tricarboxylate (or trimesate) lead to two series of iso-structural coordination polymers. Their general chemical formula is [Ln(tma)(H2O)6]∞ for the lightest lanthanide ions (Ln = La-Dy except Pm), while it is [Ln(tma)(H2O)5·3.5H2O]∞ for the heaviest ones (Ho-Lu plus Y). For the heaviest lanthanide ions, reactions at 50 °C lead to a third structural family with the general chemical formula [Ln(tma)(H2O)3·1.5H2O]∞ with Ln = Ho-Lu plus Y. Homo-lanthanide coordination polymers that belong to the latter two families do not exhibit luminescence in the visible region. Therefore, we used a phase induction strategy to obtain molecular alloys that belong to these structural families and show sizeable emission. The random distribution of the lanthanide ions over the metallic sites has been investigated using 89Y and 139La solid-state NMR spectroscopy experiments. Luminescent properties of homo- and hetero-nuclear coordination polymers based on Eu3+ and Tb3+ have been studied in detail and compared. As a result, this study strongly suggests that exchange-based intermetallic energy transfer mechanisms play an important role in these systems. It also suggests the presence of an intermetallic exchange pathway through π-stacking interactions.

A comparative study the structural, mechanical, and electronic properties of medium-entropy MAX phase (TiZrHf)2SC with Ti2SC, Zr2SC, Hf2SC via first-principles

MAX phases refer to a class of transition metal carbides or nitrides with a layered hexagonal structure, with a general chemical formula Mn+1AXn, where M denotes transition group metal elements, A denotes the 13th and 14th group elements, and X denotes carbon (C) or nitrogen (N) element. MAX phases can be used as a precursor for two-dimensional (2D) MXenes. The MAX phase can be used as a precursor for preparing two-dimensional (2D) layered MXenes. MXenes are a research frontier for electrochemical energy storage materials. Recently, a new kind of multicomponent MAX phases has been synthesized and attracted considerable research attention. However, the physical and material properties of multicomponent MAX phases are still poorly understood. Herein, the structural, mechanical, and electronic properties of a recently synthesized (TiZrHf)2SC multicomponent MAX phase are systematically investigated by density functional theory (DFT) calculations in comparison with the traditional Ti2SC, Zr2SC, Hf2SC phases. The obtained results reveal that (TiZrHf)2SC exhibits good crystal stability, intrinsic brittleness, mechanical anisotropy, and severe local lattice distortion. Lattice distortion would alter charge distribution and chemical bonds, therefore influence the mechanical and electrical properties. The sound velocity and Debye temperature of (TiZrHf)2SC are higher than Hf2SC, but lower than Ti2SC and Zr2SC. Electronic analysis reveals that (TiZrHf)2SC has both metallic conductivity and covalent features.

A new class of bilayer kagome lattice compounds with Dirac nodal lines and pressure-induced superconductivity

Kagome lattice composed of transition-metal ions provides a great opportunity to explore the intertwining between geometry, electronic orders and band topology. The discovery of multiple competing orders that connect intimately with the underlying topological band structure in nonmagnetic kagome metals AV3Sb5 (A = K, Rb, Cs) further pushes this topic to the quantum frontier. Here we report a new class of vanadium-based compounds with kagome bilayers, namely AV6Sb6 (A = K, Rb, Cs) and V6Sb4, which, together with AV3Sb5, compose a series of kagome compounds with a generic chemical formula (Am-1Sb2m)(V3Sb)n (m = 1, 2; n = 1, 2). Theoretical calculations combined with angle-resolved photoemission measurements reveal that these compounds feature Dirac nodal lines in close vicinity to the Fermi level. Pressure-induced superconductivity in AV6Sb6 further suggests promising emergent phenomena in these materials. The establishment of a new family of layered kagome materials paves the way for designer of fascinating kagome systems with diverse topological nontrivialities and collective ground states.

Structural, optical and electrical study of new polycrystalline Bi1.5-xCexSb1.5CuO7 solid solution fractions with pyrochlore-type structure

This study is a contribution to the development of novel materials based on transition multi metal oxides, which can be applied as photocatalysts or solid electrolytes in solid fuel cells. A new pyrochlore-like solid solution fractions with general chemical formula Bi1.5−xCexSb1.5CuO7 was synthetized and characterized using solid-state reaction and characterized by X-ray powder diffraction (XRPD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), electrical resistivity measurements and solid-state ultraviolet–visible spectroscopy (UV–Vis). The XRDP analysis revealed a high purity pyrochlore-like structure of the solid solution fractions, this being primary with cerium saturation between x=0.2. and x=0.4. A significant decrease of the refined cubic cell parameter was observed, in accordance with the size difference between bismuth and cerium cations. Also, a drastic drop off in electrical resistivity was observed at x=0.4. Besides, the core level X-ray photoelectron spectroscopy technique clearly detected the presence of all elements involved in the composition of these materials, and proved the simultaneous trivalent and tetravalent oxidation states of incorporated cerium. Furthermore, secondary and back-scattered electrons scanning electron microscopy analysis allowed the monitoring of the grain size as well as the phase inhomogeneity of the solid solution fractions. Finally, it was thus found that the optical band gap energy of the solid solution fractions was about 1.8 ​eV.

Apatite, Ca10(PO4)6(OH,F,Cl)2: Structural Variations, Natural Solid Solutions, Intergrowths, and Zoning

Thirty-three samples from natural apatite (Ap) solid solutions, ideal structural formula [9]Ca12[7]Ca23([4]PO4)3[3](F,OH,Cl), (Z = 2) were examined with electron-probe microanalysis, synchrotron high-resolution powder X-ray diffraction (HRPXRD), and Rietveld refinements. Apatite has space group P63/m for the general chemical formula above. In Ap, the two different Ca sites are generally occupied by Ca, Mn, Sr, Na, or REE3+ cations; the P site is occupied by P, Si, or S, and the X is occupied by F, OH, Cl, O2−, or (CO3)2− anions. However, it may be possible for CO32− + F− anions to partially replace PO43− groups. In this study, the unit-cell parameters a, c, and c/a ratio, vary smoothly and non-linearly with the unit-cell volume, V. The data falls on two distinct trend lines. The average &lt;P-O&gt;[4] distance is nearly constant across the Ap series, whereas the average &lt;O-P-O&gt;[6] angle decreases linearly. The coordination numbers for the atoms are given in square brackets in the general chemical formula above. The average &lt;Ca1-O&gt;[9], &lt;Ca2-O&gt;[6], &lt;Ca2-O,X&gt;[7], and Ca2-X distances change non-linearly with increasing V. Although Cl− anion is larger than OH− and F− anions, the c unit-cell parameter in F-Ap is larger than that in Cl-Ap. In Cl-Ap, the Ca2 polyhedra are larger than in F-Ap, so the O and Cl anions are under-bonded, which cause the Ca1 polyhedra to contract and charge balance the anions. Alternatively, the Ca1 polyhedra are smaller in Cl-Ap than in F-Ap, so the Ca1 polyhedra in Cl-Ap cause the c axis to contract compared to that in F-Ap.

Study of XRD, dielectric properties and DC electrical conductivity of Li-Zn-Al ferrite synthesized by sol–gel combustion method

A series of nanocrystalline aluminum (Al3+) doped Lithium-Zinc ferrites (LZA) having general chemical formula Li0.5(1- x )Zn x Fe2.5- y Al y -0.5 x O4 with x = 0.1 and y = 0.2 (S1C1), 0.4 (S1C2), 0.6 (S1C3) and 0.8 (S1C4) were synthesized by citrate sol-gel combustion method. The structural characterizations of the samples were carried out by X-Ray Diffraction (XRD) studies. Morphological investigations were performed using Scanning Electron and Transmission Electron Microscopies. XRD analysis confirmed the formation of single phase of the reported samples. All the samples crystallized in spinel cubic crystal structure with Fd-3m (227) space group. Crystallite size was estimated in the range of 19 nm to 21 nm using Scherrer formula. The variation of D.C. electrical conductivity as a function of temperature of as-prepared samples revealed the semiconducting nature. The dielectric constant (ε'), dielectric loss factor (ε") and the dielectric loss tangent (tan δ) were studied in the frequency range of 1 KHz to 1 MHz at room temperature by using LCR Meter. The values of dielectric constant, dielectric loss factor and dielectric loss tangent were found to decrease with addition of Al3+ content as well as with the increase in the frequency. The observed dielectric dispersion at lower frequency is attributed to Maxwell-Wagner type of interfacial polarization due to hopping of charge between Fe+2 and Fe+3. High value of resistivity (≈106 Ω-cm) and low value of dielectric constant and dielectric loss are the prime achievements of the present research work which make these investigated nanoferrites useful for the microwave devices.

Synthesis, characterization, and multifunctional applications of novel metal complexes based on thiazolylazo dye

AbstractHerein, a novel ligand, namely, N,N‐dimethyl‐4‐((4‐(pyridin‐2‐yl)thiazol‐2‐yl)diazenyl)aniline, and its solid Mn (II), Co (II), Ni (II), and Cu (II) complexes have been synthesized and characterized. The photophysical properties of the thiazolyl azo ligand, L, have been investigated in various solvents of different polarities. The absorption and fluorescence maxima of the ligand show a strong dependence on the solvent polarity. The metal ions sensing response to Mn (II), Co (II), Ni (II), and Cu (II) ions were also investigated in ethanolic solutions. The novel solid complexes of hexacoordinate Mn (II), Co (II), Ni (II), and Cu (II) of the ligand have the molar ratio 2:1 (M:L) and general chemical formula [M2(L)(H2O)4Cl4]·nH2O. The presence of metal–metal interaction was proved by the low magnetic moment values μeff of metal complexes. The UV–Vis spectra of the ligand and its metal complexes displayed bands characteristic to different types of transitions inside the molecules. The metal complexes show additional absorption bands of very low intensity around 650–690 nm attributed to d–d transitions within the metal ion indicating octahedral geometry. The geometry of the ligand and its complexes was also theoretically confirmed using the DMOL3 program and density functional theory (DFT). The free ligand and its metal complexes have been studied for their DNA‐binding properties using steady‐state absorption and emission techniques. They demonstrated successful binding properties against CT‐DNA in an intercalative mode. Additionally, the ligand and its metal complexes have also been successfully applied to polyester fabrics as disperse dyes. Multifunctional properties such as color representation, colorimetric data (L*, a*, b*, C*, h*, K/S), and fastness properties of the dyed samples have been discussed and evaluated in detail. These dyes have proven their efficiency in dyeing polyester fabrics, as they give satisfactory results in fastness properties, colorimetric data. Moreover, the antioxidant and antitumor activities for the synthesized compounds were evaluated.

Structural, microstructural and electrical characteristics of Ca, Sn and Se modified Bi0.5Na0.5TiO3 ferroelectric ceramics

In this paper, studies of structural, microstructural and electrical properties of calcium, tin, and selenium modified bismuth sodium titanate (Bi0.5Na0.5TiO3) compound with a general chemical formula (Bi0.45Na0.45Ca0.1) (Ti0.9Sn0.05 Se0.05) O3, synthesized by a high-temperature mixed oxide reaction method, have been discussed. Analysis of room temperature X-ray diffraction data confirms the formation of perovskite single-phase compound with rhombohedral symmetry. The surface morphology of the sample exhibits the uniform distribution of grains of varying size. Studies of the electrical parameters (dielectric, impedance and conductivity) of the material, collected at various temperatures (75–375 °C) in a wide frequency range (1 kHz–1MHz) have provided its conduction and relaxation behavior. The electric field dependent current density (J-E) characteristics suggest the Ohmic behavior while the field dependent polarization (P-E loop) confirms the ferroelectric nature of the studied material.