Mn-dopant concentrations ranging from 0.05 mM to 10 mM were utilized for producing Mn-doped CdO thin films on glass substrates employing spray pyrolysis technique. The structural, morphological, topological, optical, and vapour sensing properties of CdO thin films are acknowledged to be impacted by Mn doping. According to the XRD analysis, the generated thin film displays polycrystalline nature with a cubic structure and Mn doping also contributes to a substantial reduction in the crystallinity of CdO thin films. SEM images show homogenous grains, and as the concentration of dopants rises, so does the size of the aggregated grains. The absorbance and transmittance spectra of the produced thin films captured in the UV visible spectra demonstrate that the transmittance of the CdO thin film has decreased substantially with an increase in Mn dopant concentration along with a significant red shift with respect to molar concentration which may facilitate a good sensing behaviour of the test sample. The findings indicate that the band gap energy decreases with doping concentration, ranging from 2.85 to 2.59 eV. The intensity of the SAED pattern has significantly decreased, implying that the doped samples' degree of crystalline nature has decreased. According to the photoluminescence spectra, the emission band near 485 nm is produced by both the pure and doped CdO nanoparticles. The ethanol sensing behaviour of the prepared thin film was examined using the chemiresistive method at room temperature. The film's responsiveness to vapour drastically increased with an increase in Mn dopant concentration, leading to the development of a thin film that is incredibly selective for ethanol vapour. Based on the findings of this study, room temperature ethanol sensors can be developed by making use of Mn-doped CdO thin films.

The slow evaporation solution technique (SEST) was utilized to obtain technologically important organic Para-nitrophenol (PNP) single crystals at a temperature of 40 °C by the use of a constant temperature bath (CTB). Some theoretical quantum chemical studies were carried out with the Gaussian 16 W program package’s B3LYP 6–311 + + (d,p) basis set. The lattice parameters were also confirmed by powder XRD, and the planes were indexed using the Chekcell program. The functional groups were verified by FTIR analysis and then cross-referenced with existing literature. The electron distribution was studied using Hirshfeld analysis and the nucleophilic and electrophilic reactivity were analyzed using Molecular Electrostatic Potential (MEP). Premeditation of the crystal’s stabilized structure was done by scanning electron microscopy (SEM) investigations. UV–Vis–NIR was used to deliberate linear optical chattels, and fluorescence investigation further supports the optical utilization of 4-nitrophenol. Optical absorption, transmission, and energy band gap (Eg) measurements corroborated the optically high quality and associated optical characteristics of the developed crystals. The energy gap was also calculated theoretically using HOMO–LUMO analysis and compared with experimental. Thermogravimetric and differential thermal analysis (TG/DTA) were used to investigate the thermal phase shifts and the stability of the crystal. The dielectric, polarizability, and photoconductivity analyses were used to investigate the electrical properties. Using a 532 nm single wave (SW) laser, the Z-scan method was employed to study the nonlinear absorption coefficient (β) and optical limiting. The suitability of PNP for nonlinear optical (NLO) absorption, optical limiting, and laser safety applications was validated using Z-scan analysis.

Over the years, growing highly efficient crystals in performing multi-level applications has consistently consolidated its position whereby a good number of novel crystals are kept added such that the emerging technology keeps on moving to the next possible level. On this count, R-Mandelic acid S-alanine hemihydrate (RMSA) single crystals with nonlinear optical (NLO) activity were produced at 37°C by the solvent evaporation technique. X-ray diffraction assessment on the single crystal as well as in the powder form was used to estimate the lattice constants. The crystal structure of RMSA is found to be triclinic. According to the transmission spectrum, RMSA's UV cutoff wavelength is 268 nm. Using FTIR spectroscopy, the vibrations of functional groups were clarified. The 13 C-NMR spectroscopy was used to determine the molecular structure of RMSA. The Kurtz-Perry SHG test revealed that SHG was existent at a considerable level. When RMSA is compared to pure alanine, the SHG efficiency is discovered to be higher. Utilizing the He-Ne laser and single-beam Z-scan technology, a third-order nonlinear optical investigation was carried out. Positive nonlinearity in RMSA was revealed by a closed-aperture approach, while reverse saturation was revealed by an open-aperture analysis. The obtained results establish the possibility of RMSA as a crystal to be used in optoelectronic and optical device applications to obtain output with high efficiency.

Organic nonlinear optical (NLO) Ethyl-5-hydroxy-4-(2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl) hexahydropyrimidine5-carboxylate (EHOTHPC) single crystals have been grown by slow evaporation solution technique (SEST). The single crystal X-ray Diffraction analysis confirms the unit cell parameters of the grown EHOTHPC crystal. The relative contribution of various intermolecular interactions, d(norm), shape index and curvedness of EHOTHPC crystal are discussed using Hirshfeld surface analysis. The presence of functional groups of EHOTHPC crystal was confirmed by Fourier transform infrared (FT-IR) spectrum and Fourier transform Raman (FT-R) spectrum analysis and the same compared with DFT calculations, it shows good agreement. The optical transmittance of the grown crystal was analyzed by UV-Vis-NIR analysis. The important quantities such as global hardness (eta), chemical potential (mu) and global electrophilicity index (omega) were deduced from ionization potential and electron affinity values. The thermal stability of the crystal has been investigated by thermogravimetric (TG) and differential thermal analysis (DTA). The third-order nonlinear optical property of the grown crystal was studied by the Z-scan technique using He-Ne laser of wavelength 532 nm. (C) 2020 Elsevier B.V. All rights reserved

The potential organic bis-benzotriazole trichloroacetic acid (BBTCA) single crystal was formed by slow evaporation of solvents by solution-growth method. The structural parameters and crystalline perfection of BBTCA crystal was confirmed by single crystal X-ray diffraction and powder X-ray diffraction analyses. The BBTCA crystal belongs to the crystal system monoclinic with the space group of P21/c. Various functional groups and corresponding modes of vibrations were identified by using FTIR spectrum. The optical transparency window of the grown BBTCA crystal was studied by UV–Vis–NIR spectroscopy. Photoluminescence study indicates that the broad band emissions occurred at near band edge of the visible region. In TG-DTA, thermal behaviour reveals that BBTCA is thermally stable up to 130°C. The dielectric properties of BBTCA with respect to frequency were investigated with various temperatures. Third-order nonlinearities and mechanical behaviour of as-grown BBTCA crystal were tested by Z-scan experiment and Vicker’s hardness test.

Single crystals of Zinc sulphate doped L-Threonine dihydrogen phosphate (LTDP) have been successfully grown by slow evaporation method. FT-Raman spectra of doped crystal were recorded and interpreted. Photoconductivity of grown crystal was established by photoconductivity meter. Vickers hardness test was also carried out to elucidate the mechanical behaviour of the grown crystals.

The correct crystal system and space group of the title crystal are reported. Powder X-ray diffraction (PXRD) study validates the crystal structure of poly (bis 4-methoxybenzylammonium) tetra-mu-chlorido-cadmate (II) (4MBACD) crystal. The crystal exhibits the optical transmittance from 270 to 1100 nm. The vibrations of different functional groups, formation of crystal, coordination of metal and the intermolecular hydrogen bonding impact in the crystal were analyzed by FT-Raman and H-1 nuclear magnetic resonance (NMR) spectroscopy. The H-1 NMR spectrum of 4MBACD crystal is recorded in DMSO and D2O solvent but the protonation of amino moiety is revealed only in DMSO solvent. The mechanical stability was determined by Vicker's microhardness study. The Z-scan analysis was carried out to know the nonlinear refractive index (n(2)), the nonlinear absorption coefficient (beta) and third-order nonlinear susceptibility (chi((3))). The result reveals that the crystal possesses saturable absorption and self-defocusing properties. 4MBACD crystal exhibits higher third order nonlinear susceptibility chi((3)) = 6.21 x 10(-6) esu compared to some well-known crystals due to the impact of intermolecular charge transfer interactions. This ensures the suitability of 4MBACD crystal for nonlinear optical (NLO) applications.

An exceedingly high-quality second and third-order nonlinear optical (TONLO) single crystal trisglycine epsomite (TGE) has been grown productively using aqueous solution by conventional solution growth method. Single crystal XRD confirms the distortion of crystal structure from orthorhombic to triclinic with space group. CHN analysis authenticates the occurrence of carbon, hydrogen and nitrogen in the grown crystal. FTIR studies substantiate the existence of functional groups. The optical transmission studies proves the transparency of the sample in the entire visible region and band gap was determined using Tauc's plot. The output intensity of SHG was verified by Kurtz and Perry powder technique and it was found to be 0.792 times greater than that of KDP. TONLO properties such as nonlinear refraction (NLR), nonlinear absorption (NLA), third-order susceptibility (chi(3)) and hyperpolarizability (gamma) were determined with high accuracy using effectively attributes to self-defocusing effect also with high third-order susceptibility comparing to other NLO crystals. SEM analysis reveals the surface morphology of the grown crystal. (C) 2018 Elsevier B.V. All rights reserved.

A novel, semi-organic peculiar optical crystal trisglycine epsomite (TGE) has been synthesized from aqueous solution by conventional solution growth method at room temperature.Single crystal XRD study has been carried out to categorize the crystal system and lattice parameters.PXRD study reveals the crystalline nature of the crystal.Optical spectral studies have been conducted to locate the cut-off wavelength, absorption coefficient, extinction coefficient and optical band gap of the material.The dielectric constant and dielectric loss as a function of frequency were measured.The solid state parameters of the title compound such as valence electron, plasma energy, Penn gap and Fermi energy were calculated theoretically using the empirical relation and deduced their electronic polarizability, found to be better-quality than KDP.The mechanical behaviors of TGE were studied by utilizing Vickers micro hardness tester.

An organo-inorganic optical crystal, Bis(4-methylbenzylammonium) Tetra chlorido cad mate (II) [4MLBACD], was synthesized and grown by solution growth solvent evaporation technique at a temperature of 37 degrees C. The single crystal X-ray diffraction study showed that grown crystal belongs to orthorhombic crystal system with Puma space group. It has various functional groups such as protonated NH3+, Cd-Cl and CH which was well established by FT-Raman spectroscopy. The lower cut off wavelength of 4MLBACD was found at 219 nm and the good transparency range was observed from 219 nm to 1100 nm. The molecular structure was confirmed by H-1 NMR and C-13 NMR spectroscopy. The carbon-hydrogen framework of the organic part of 4MLBACD and the influence of inorganic moiety over organic moiety was well identified and established. The presence of hydrogen bond in the molecular structure enhances the third order susceptibility (chi 3) and the value was found to be 4.03 x 10(-6) esu. It was analysed by Z-Scan technique. The third order optical nonlinear parameter such as absorption coefficient (beta), refractive index (n(2)) and susceptibility (chi 3) were also found. (C) 2018 Elsevier GmbH. All rights reserved.

A remarkably good second and third-order nonlinear optical (TONLO) single crystal potassium hydrogen phthalate magnesium sulfate (KHPMS) has been grown effectively using aqueous solution by conventional solution growth method. Single crystal XRD studies exhibits the crystal structure as triclinic with space group P1 for the grown KHPMS crystal. Crystalline nature of the title compound has been confirmed by powder XRD studies and by using Scherer formula particle size has been evaluated. Elemental analysis with CHNS mode authenticates the occurrence of carbon, hydrogen and sulphur in the grown crystal. The optical transmission study proves the transparency of the sample in the entire visible region and band gap has been determined using Tauc’s plot. The output intensity of SHG was verified by Kurtz and Perry powder technique and it was found to be 0.409 times as that of KDP. TONLO properties such as nonlinear refraction (NLR), nonlinear absorption (NLA), third-order susceptibility (χ3) and hyperpolarizability (γ) were calculated with high accuracy using Z-scan technique. THG effectively attributes to self-defocusing effect with high third-order susceptibility compared with other NLO crystals

The Potassium hexachloro cadmate (IV) (PHC) single crystal was grown from the aqueous of the solution by a controlled evaporation method. Single crystal XRD solved the structure. FTIR is used to identify the functional groups of grown crystal. The UV–Vis–NIR spectrometer was used to find out the UV cut off region and to calculate the optical band gap of the Potassium hexachloro cadmate (IV) single crystal. The EDAX spectrum has been used to identify the compounds present in title compound. The TG-DTA profile shows the thermal stability of the grown crystal of Potassium hexachloro cadmate (IV). The Vicker's hardness measurement was used to calculate the material hardness of the title compound. The dielectric loss and constant varied with frequencies and activation energy is also calculated. The solid state parameters like plasma energy, Penn gap, Fermi energy, electronic polarizability using Penn analysis and Clausius-Mossotti equation were also calculated for the title compound. The Z-scan technique is used to calculate the third order nonlinear susceptibility of a real and imaginary part.

A protonated third-order nonlinear optical crystal, (4-Methoxyphenyl) methanaminium chloride (4MPMAC) has been synthesized by the low-temperature solvent evaporation method. Single crystal X-ray diffraction (SCXRD) analysis reveals the monoclinic crystal system with centrosymmetric space group, P2(1)/c. Powder X-ray diffraction (PXRD) study justifies the structure and crystalline perfection of 4MPMAC crystal. Protonation, hydrogen bond interaction and the molecular structure of the grown crystal are confirmed by Fourier transform infrared (FT-IR) and Nuclear magnetic resonance (NMR) spectral analysis. Thermogravimetric (TG) and differential thermal analysis (DTA) elucidate the thermal stability and the melting point (222 degrees C) of the crystal. 4MPMAC shows the soft mechanical nature with the realization of reverse indentation size effect. UV vis-NIR analysis reveals the wide window of optical transmission from 299 nm to 1100 nm. The bandgap of the crystal is found to be 4.16 eV. Z-scan study explores the higher third-order susceptibility and confirms the self-defocusing and saturable absorption nature of 4MPMAC crystal. The intermolecular hydrogen bonding improves the transfer of protons between the cation and anion and enhances the third-order optical nonlinearity for photonic applications. Further, the optical power limiting property is also assessed, the threshold limiting value is determined to be 24.3 mV and enables the crystal for optical limiting applications.

A new crystal, (4-Methoxyphenyl) methanaminium bromide (4MPMAB) was successfully developed by suitably functionalising the counter anion for nonlinear optical applications. Structural analysis was carried out and explores the monoclinic crystal system of P2(1)/c space group. The methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s deviation of 0.0294 angstrom from the mean plane (C1-C8/O1). The donor mesomeric effect of methoxy group is revealed. The strong bonding nature and intermolecular N-H-Br interaction between the ammonium cation and the halide anion are evidenced. In addition to that, C-H-Br and C-H-pi interactions are also observed. As the protonation takes place by the hydrogen of hydrobromic acid (HBr), the contribution of HBr is highlighted in the formation of the 4MPMAB crystal. Powder X-ray diffraction (PXRD) study authenticates the good crystalline nature of the sample. Fourier transform infrared (FT-IR), H-1 and C-13 Nuclear magnetic resonance (NMR) spectral study ascertained the functional groups, the formation of the molecule and the N-H-Br interaction of the grown crystal. The crystal is stable up to 219 degrees C. 4MPMAB has soft nature. The crystals have 65% optical transmission from 330 nm to 1100 nm with estimated optical band gap value of 3.5 eV. Z-scan study exhibits the higher third-order nonlinearity of 4MPMAB crystal. The influence of charge transfer on third-order nonlinear optical properties were revealed. Further, the optical limiting performance of 4MPMAB crystal has also been investigated. (C) 2018 Elsevier B.V. All rights reserved.

An organic-inorganic non linear optical (NLO) crystal L-Valine Potassium Penta Borate octa hydrate (LVPPB) single crystals were synthesized and grown by slow evaporation technique at ambient temperature. The single crystal X-Ray diffraction (XRD) analysis portrayed the monoclinic nature of the synthesized crystal. The UV-vis cut off wavelength was observed as 225 nm. The various functional groups CH3, CH, NH3 COO-, BO3, BO4 and K-O in LVPPB were identified using the Fourier transform infrared (FTIR) technique. The thermogravimetric and differential thermal analysis (TG-DTA) thermogram was utilized to determine the thermal stability of the grown crystal. The work hardening co-efficient was calculated as 2, using microhardness study. The second harmonic generation (SHG) efficiency of the LVPPB was found to be 0.9 times that of KDP.

Bisglycine Strontium Chloride (BGSC), a semi-organic newly synthesised crystal obtained by slow evaporation solution growth technique (SEST) using aqueous solution at ambient temperature. The unit-cell parameters of the grown crystal were confirmed by single crystal XRD. FTIR studies have been carried out for analysing the presence of functional groups. The transparency of the grown crystal was identified by the UV-Vis spectrum. The dielectric constant (εr) and dielectric loss (tanδ) as a function of frequency were measured for the grown crystal. The solid state parameters such as valence electron energy, plasma energy, Penn gap and Fermi energy were evaluated theoretically by using the empirical relation. The mechanical stability of the grown crystals was studied using Vickers micro hardness tester. The estimated values were used to calculate the electronic polarizability.

4-Methylbenzylammonium nitrate (4MLBANO3) has been successfully synthesized and good-quality single crystals have been grown from aqueous solution by slow solvent evaporation solution growth technique. The grown crystals have been analysed by different characterization techniques. Single-crystal X-ray diffraction analysis reveals that the grown crystal belongs to monoclinic crystal system with space group P21/c. UV–Vis–NIR spectral analysis shows that the crystal is transparent from 231 to 1100 nm. The functional groups, protonation of NH2 and the formation of 4MLBANO3 crystal have been established from FTIR analysis. The molecular structure has also been confirmed by NMR spectroscopy. The protonation of NH2 to NH3+ group is confirmed by shifts in the carbon signals observed in 13C NMR analysis. The chemical shift of methylene group bonded with NH2 group is observed at 46.21 ppm in pure 4-methylbenzylamine (4MLBA). In 4MLBANO3 this has been shifted upfield due to adjacent protonated NH3+ and it is observed at 42.32 ppm. In 1H NMR, the NH2 chemical shift of 4MLBA is observed at 1.42 ppm which is shifted to 8.096 ppm in 4MLBANO3. This confirms the protonation of NH2. The third-order optical nonlinear susceptibility (χ3), nonlinear refractive index (n2) and absorption coefficient (β) have been calculated and the values are found to be 3.57 × 10−6 esu, 6.97 × 10−8 cm2/W and 0.06 × 10−4 cm/W, respectively. The observed third-order nonlinear susceptibility value (χ3) of 4MLBANO3 has been compared with LiKB4O7, VMST, KBe2BO3F2, MMST and KDP single crystals.

4-(dimethylamino) pyridinium 4-aminobenzoate dihydrate (DMAPAB) single crystal was grown by employing the solution growth technique.The grown crystal was characterized by using single X-ray diffraction analysis and found that the title compound crystallizes in triclinic space group P1.From the FT-IR spectral analysis, the presence of functional groups of synthesized compound was identified. The transmission spectrum of DMAPAB crystal showed no absorption in the visible region. The fluorescence spectra of the title compound were analyzedto evaluate the excitation states. The thermal stability and decomposition stages of DMAPAB were elucidated from the TGA-DTA studies.Z-scan technique was employed to determine the third-order nonlinearity of grown crystal. Introduction. The development of nonlinear opticalmaterials has been the subject of numerous investigations by both theoreticians and experimentalists in recent years due to their potential applications in optical signal processing. In recent years, researchershave shownmuch interest in the pyridine familycrystals due to their wide transparency window, extended thermal stability and high NLO coefficient. There is much interest in organic nonlinear optical crystals due to their potentially high non-linearity and rapid response in electro-optic devices compared to inorganic NLO materials.The organic NLO crystalsplay important role in third harmonic generation (THG), frequency mixing, electro-optic modulation and optical parametric oscillation [1]. Pyridine and benzoic acid mixedanalog NLO crystals are found to show extended optical and physical properties and hence they can be extensively used for molecular engineering application. Recently, DMAPAB possess the medium strength N—H···O andO—H···Ohydrogenbonds connected bythe adjacent anions and cations,involving water molecules into three dimensional framework. In continuation with the zeal of developing new organiccentric crystal,4-(dimethylamino)pyridinium4-aminobenzoate dihydrate (DMAPAB) crystal has been synthesized from aqueous solution. The present investigation deals with the synthesis, growth and characterizationof 4-(dimethylamino)pyridinium 4aminobenzoate dihydrate single crystal. Materials and methods. Thestarting materials were of analytical grade reagents andthe synthesis, growth process were carried out by dissolving 4-Dimethylaminopyridine and 4-aminobenzoic acidin the stoichiometricratio of 1:1 in aqueous solution. Single crystal of 4-(dimethylamino) pyridinium 4-aminobenzoate dihydrate (DMAPAB) was grown by the slow evaporation solution technique. The crystalline precipitate was formed by proton transfer reaction, where a proton can be transferred from the electron donor group of 4-aminobenzoic acid to the electron acceptor group of 4-Dimethylaminopyridine. The saturated solution was keptat 32oCwith © 2017 The Authors. Published by Magnolithe GmbH. This is an open access article under the CC BY-NC-ND license http://creativecommons.org/licenses/by-nc-nd/4.0/

In this paper, the properties of a nonlinear optical crystal, ammonium pentaborate were discussed. Ammonium pentaborate (AB5) was synthesized by reacting ammonium carbonate and boric acid in 1:10 molar ratio. AB5 single crystals were grown by slow evaporation solution growth method at 32 °C temperature using water as solvent. The lattice parameters of grown crystal were determined using single crystal X-ray diffraction analysis. The functional groups and vibrational behaviour of chemical bonds present in the crystal were enumerated by FT-IR and FT-Raman studies. Hardness number of the material was measured for various loads using Vickers microhardness tester. Thermal stability and decomposition behaviour were studied upto 1000 °C by TG/DT and DSC analysis. UV–Vis-NIR analysis revealed that grown crystals have optical transmission from 230 to 900 nm and lower cut-off wavelength is around 230 nm. Optical band gap of the material was found to be 5.20 eV. Second harmonic generation was confirmed by Kurtz–Perry technique using Nd:YAG wavelength of 1064 nm. Z-scan measurement using Gaussian beam of He–Ne laser of wavelength at 632.8 nm reveals the self-focusing, saturable absorption behaviour of the crystal and third order nonlinear optical parameters, refractive index (n2), nonlinear absorption coefficient (β) and susceptibility (χ(3)) were also calculated. Laser damage threshold value was calculated as 10.29 GW/cm2 using 1064 nm pulsed Nd-YAG laser having pulse width of 10 ns.