This article presents the upconversion luminescence from infrared to visible emission in Ho3+ ion doped oxyfluoride glass ceramics BaF2-B2O3-Al2O3 (BaAlBO3F2). A series of Ho3+ doped BaAlBO3F2 nanocrystals were introduced into the glassy phase using melt-quenching method followed by an appropriate heat treatment procedure. XRD confirms the crystalline phase in the glass ceramics. TEM indicates the nano-sized crystal in the glassy phase and the particle size is around 40 nm. EDAX confirmed the presence of doped Ho3+ ions in the glass. The photoluminescence spectrum of the prepared samples excited at 948 nm shows an intense red emission at 640 nm and green emission at 540 nm due to 5F5 -> 5I8 and 5S2, 5F4 -> 5I8 transitions of Ho3+ ions. The excellent upconversion of IR to visible (Red) properties of Ho3+ in glass ceramics have potential application in the field of solid-state upconversion lasers which operates in the visible range.

An organic 4-(3-nitrophenylamino)-4-methylpentan-2-one picrate (3NAP) cocrystal was synthesized using slow solvent evaporation technique and its crystal structure is reported. The 3NAP compound crystallized in monoclinic crystal system with centrosymmetric space group P2(1)/c and the cell parameters are found to be a=8.6339 angstrom, b=19.1965 angstrom, c=13.2058 angstrom, alpha=90 degrees, beta=106.725 degrees, gamma=90 degrees and V=2096.1 angstrom(3). Best agreement between theoretical and experimental value of CHN elemental composition confirmed inclusionless compound formation. The reasonable FWHM value of prominent peak observed from high-resolution X-ray diffraction experiment indicates superior crystallinity of 3NAP. The load-dependent hardness values measured at (010), (010), and (001) - planes of 3NAP single crystal admit its mechanical anisotropy. Further, the work hardening coefficient confirms that the title crystal belongs to the soft material category. The dark and photocurrent of the 3NAP crystal were measured, and it exhibits positive photoconductivity. The laser-induced surface damage threshold of the 3NAP crystal was found to be 7.5 GWcm(-2). Nonlinear coupling between the intermolecular charge transfer and an applied optical field enhanced third order nonlinear optical properties. The intermolecular charge transfer and interactions are proved to be true in 3NAP via Hirshfeld surface analysis. The third order nonlinear optical susceptibility (chi((3))) and optical limiting threshold under continuous-wave laser excitation was measured to be 3.96 x 10(-6) esu and 3.44 x 10(3) Wcm(-2). The superior physicochemical and nonlinear optical properties promote the title material as a promising candidate for nonlinear optical device applications. (C) 2020 Elsevier B.V. All rights reserved.

A series of BaAlBO3F2 glass ceramics (GC) phosphor with different Dy3+ concentration were prepared by melt quenching method followed by sintering process. The BaALBO(3)F(2):xDy(3+)(x = 0.01,0.03,0.05,0.07,0.09 mol%) samples were characterized using X-ray diffraction (XRD), Differential Scanning Caloriemter (DSC) UV-vis diffuse reflectance spectroscopy (DRS), Transition Electron Microscope(TEM), Energy Dispersive X-ray studies (EDX), and Photoluminescence (PL).The phase formation of the prepared GC phosphor was characterized by powder X-ray diffraction (PXRD). The optimum heat treatment condition (550 degrees C/4 h) was determined by DSC curve. The nano crystalline nature and the elemental analysis of the prepared samples were done by TEM and EDX. The absorption wavelength and the band gap value was found from the DRS spectrum. The luminescence Properties of Dy3+ in BaAlBO3F2 host were systematically studied using excitation and emission spectrum profile. Commission International de l'Eclairage (CIE) was used to study the chromatic nature of the GC phosphors. The calculated values of chromaticity coordinates were found to be located within the white light region. In addition to it, the CCT value was confirmed in the day light region. Hence the prepared materials find vast applications as white light LEDs

The rare earth Pr3+ and Yb3+ doped phosphate glass were prepared by quenching method using electrical muful furnace. The optical band gap of rare earth Pr3+ and Yb3+ doped phosphate glass were studied. The dielectric permittivity, dielectric loss and electrical conductivity of the prepared samples have been studied using LCR meter with different frequencies at room temperature. The Vickers hardness number, brittle index, yield strength, fracture toughness of the rare earth Pr3+ and Yb3+ doped phosphate glasses were also calculated. The nonlinear optical parameters such as third order nonlinear coefficient and nonlinear refractive index were estimated using Z-scan method. The magnetic property of the Pr3+ and Yb3+ doped phosphate glass was studied using VSM analysis. The electro chemical properties of Pr3+ and Yb3+ doped phosphate glass electrodes in 5 M KOH electrolyte were studied using cyclic voltammetry, Galvanostatic charge–discharge and electrochemical impedance spectroscopy. The specific capacitance, energy density and capacity retention of Pr3+ and Yb3+ doped phosphate glasses were calculated.

The synthesized (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl)acrylonitrile (TACNBNF) crystal compound was characterized using FT-IR, H-1 and C-13 NMR analyses, ESI-mass and photoluminescence studies. Single crystal X-ray diffraction investigations reveal that the molecule is associated with the C (7)-H (7)center dot center dot center dot S (1) donor-acceptor hydrogen bond interaction. The bond angle at C7 gives a strong indication that H7 center dot center dot center dot S1 contact is repulsive. However, the C5-C7-C8 bond angle = 128.8 (2) degrees, is distorted due to strain induced by double bond linkage at C5=C7. The computational work such as optimized geometry by Density functional theory (DFT), FT-IR, Molecular electrostatic potential (MEP), Frontier Molecular orbitals (FMOs), Mulliken's population analysis, Nonlinear optical effects (NLO), and Natural bond orbitals (NBO) were analyzed with the aid of Gaussian 03 program using basic set B3LYP/6-311++G (d,p). The proton H-1 and carbon C-13 NMR chemical shifts of molecules were simulated by the gauge-independent atomic orbital (GIAO) manner and also compared with experimental H-1 and C-13 NMR results. The in vitro antioxidant study was carried out in DPPH assay ascorbic acid, a standard drug. The in silico molecular docking, ADMET and toxicity studies were performed by Discovery Studio 4.0. (C) 2019 Elsevier B.V. All rights reserved.

Pure and Zn doped manganese (II, III) oxide (Mn3O4) nanoparticles were prepared by simple chemical precipitation method at room temperature with different atomic percentages (6, 12, 18) of Zn. The obtained products were subjected to various characterizations namely powder X-ray diffraction (XRD), microstructure and morphology were investigated by scanning and transmission electron microscopy (SEM and TEM), element analysis was done by energy-dispersive X-ray spectroscopy (EDX). Specific surface area of all the samples were measured by Brunauer–Emmett–Teller (BET) analysis. The optical absorption (UV-vis) property of the samples, confirmed electronic transitions and increase in the band gap of the products. The as-synthesized samples were used for degrading methylene blue (MB) dye of which 12at% Zn in Mn3O4 showed best oxidation efficiency compared to other samples.

Phosphate glasses with different RE element dopants were prepared by conventional melt quenching method. Dopants like Nd2O3, Sm2O3 and Eu2O3 were added in glass with 0.5% & 1.5% molar ratio. While varying dopant ratio, phosphate glasses exhibits different properties. The XRD characterization reveals the non-crystallinity of the samples. Both FTIR and Raman confine the ionic nature of the samples. The fluorescence emission spectra Nd2O3 shows that the most intense band occurred at 380 nm due to D-4(712) - I-4(3/2) transition but for Sm2O3 and Eu2O3 most intense bands are seen at 375 nm and 379 nm due to the transition (4) D-1/2 -> H-6(5/2) and of (5)G(5) - F-7(0) respectively.

The title compound (DPTA) synthesized by Knoevenagel Condensation process, was developed from a single crystal by slow evaporation method. This compound was then confirmed by FT-IR and FT-Raman spectroscopic analyses in order to identify the function groups. UV–visible spectral studies and fluorescence spectroscopic analysis were also carried out for the grown crystal. Density Functional Theory (DFT/B3LYP/6-311G++(d,p) level of theory) was performed by Gaussion 09 software. Further, the single crystal XRD analysis was used to confirm the crystal system and lattice parameters. Moreover, structural perfection of the grown crystal was analysed by high resolution X-ray diffraction (HRXRD) rocking curve measurements. The chemical composition was confirmed by performing elemental chemical analysis as well 1H NMR and 13C NMR spectroscopic studies. The optical studies further carried out, revealed the optical band gap and the refractive index of the material, measured as a function of wavelength. The laser damage threshold of the grown crystal was then measured using Nd:YAG laser. The dielectric constant, dielectric loss and a.c conductivity of (DPTA) was investigated with different frequencies and temperatures. Moreover, the magnetic property of the grown crystal was evaluated by VSM analysis.

Phosphate glasses are special class of optical glasses composed with metaphosphate of different metals. When rare earth elements are added to glass matrix as dopant, it improves glass melting and also enhances some unique glass properties. Lanthanum oxide doped Phosphate glass system were prepared with melt quenching method. The effect of different concentration (0.5% & 1.5%) of La2O3 on electrical, structural and optical properties of phosphate glasses have been studied. The FTIR studies shows, in 0.5% of La2O3 doped phosphate glass, sharp peaks were observed with high intensity values. The absence of crystalline structure in the prepared phosphate glasses were confined by both Raman and XRD studies. With the addition of La2O3 to P2O5, the phosphate glasses alters its structure from cross-linked network to chain network. The absence of crystalline structure in the prepared phosphate glasses were confined by both Raman and XRD studies. According to the Raman spectra, there is a corresponding decrease in the number of Q(2) units with increasing lanthanum oxide content with the addition of La2O3 to P2O5, the phosphate glasses alters its structure from cross-linked network to chain network. (C) 2018 Elsevier GmbH. All rights reserved.

Cerium doped barium aluminium borate difluoride—BaAlBO3F2 glasses have been prepared by melt-quenching method. Through subsequent heat treatments glasses have then been transformed into glass ceramics containing BaAlBO3F2 nanocrystals. X-ray diffraction and Energy Dispersive X-ray analysis (EDX) were used to confirm the crystalline phase and the presence Ce3+ ions present in the host glass ceramics. The structural and optical parameters of prepared glass ceramics were analyzed by using FTIR, UVvis absorption and photoluminescence studies. FTIR spectrum confirms the conversion of BO3 to BO4 units and also the presence of CeOAl linkages in glass ceramics. Photoluminescence observed in cerium doped BaAlBO3F2 glass ceramics is due to 5d→4f transition of Ce3+ions.