Spectral, electrical, mechanical and dielectric characterization of 2-aminobenzothiazolium 4-fluorobenzoate (Scaffold in drugs) single crystal
Transparent colourless block single crystal of 2-aminobenzothiazolium 4-fluorobenzoate (2-ABT4FB) was grown from aqueous solution via slow evaporation method. The unit cell parameters of the title compound was determined from single crystal x-ray diffraction studies and found to be a=12.15(9) A, b=12.65(9) A, c=28.3(2) A, α=85.03(18)˚, β=83.00(17)˚, γ=71.30(9)˚. The crystal exhibits wide transparency window of 99%. The band gap energy of the crystal was calculated as 4.11eV from the Tauc’s plot. The sharp emission peak observed at the wavelength of 470 nm in the photoluminescence spectra is due to the blue emission. Mechanical stability of the grown single crystal was investigated by using Vickers microhardness test and reveals that 2-ABT4FB single crystal is the soft material with the Meyer’s index (n) of 2. Single crystal exhibits high dielectric constant at lower frequencies and the dielectric loss decreases as the frequency increases is due to the various polarization effects. Bangladesh J. Sci. Ind. Res. 60(3), 159-168, 2025
- Research Article
8
- 10.1007/s10854-018-8871-0
- Mar 9, 2018
- Journal of Materials Science: Materials in Electronics
Bulk size 4-methyl benzophenone (4MB) single crystals have been grown by Czochralski method in a period of 8 h. The unit cell parameters of the grown crystals were confirmed by single crystal X-ray diffraction analysis. The lower UV cut-off wavelength of 4MB crystal was studied by UV–Vis NIR spectrum analysis and the cut-off wavelength was found to be 379 nm. The FTIR spectrum confirms the presence of different functional groups present in the crystal. The luminescence properties of 4MB single crystal were described by Photoluminescence spectra. Thermal stability, material decomposition and melting point of the grown crystals were determined by Thermogravimetric/differential thermal analysis measurements. The mechanical stability of the 4MB single crystal was examined using Vickers microhardness test and it was found that the crystal belongs to soft material category. Laser damage threshold measurement was carried out by using Nd:YAG laser. The nonlinear refractive index, nonlinear absorption coefficient and third order nonlinear susceptibility were measured from Z-Scan measurements. The density functional theory calculations for isolated 4MB molecule were performed with B3LYP/6-311 + + G(d,p) level. The electronic properties and polarizabilities of title molecule were calculated.
- Research Article
35
- 10.1016/j.molstruc.2020.128863
- Jul 11, 2020
- Journal of Molecular Structure
Crystal structure, spectroscopic characterization, mechanical, thermal and theoretical investigations on creatininium benzenesulfonate - A new organic NLO single crystal
- Research Article
15
- 10.1016/j.physb.2019.03.014
- Mar 19, 2019
- Physica B: Condensed Matter
Growth and characterization of 4-methyl-3-nitrobenzoic acid (4M3N) single crystal by using vertical transparent Bridgman-Stockbarger method for NLO applications
- Research Article
16
- 10.1016/j.cjph.2020.09.027
- Oct 17, 2020
- Chinese Journal of Physics
Crystal growth, structural, optical, thermal, and mechanical properties of new bis(2-amino-6-methyl pyridinium barbiturate) tetrahydrate organic single crystal for nonlinear optical applications
- Research Article
9
- 10.1016/j.jcrysgro.2013.12.016
- Dec 22, 2013
- Journal of Crystal Growth
Investigation on the growth and characterization of 4-aminobenzophenone single crystal by the vertical dynamic gradient freeze technique
- Research Article
2
- 10.4302/plp.v12i3.1004
- Sep 30, 2020
- Photonics Letters of Poland
L-valine L-valinium perchlorate monohydrate single crystal has been synthesized by slow evaporation technique at room temperature. The crystal structure and space group of the crystal were confirmed by single crystal X-ray diffractometer. Optical behavior of the crystal was analyzed by using UV-visible spectrophotometer. Thermal stability was discussed by using thermo gravimetric analysis. Mechanical strength of the grown crystal was studied using Vickers microhardness tester. Nonlinear optical property was explored to confirm the second harmonic generation efficiency of the grown crystal. These preliminary investigations suggest that the title compound can serve as a potential material for photonics applications. Full Text: PDF ReferencesD. J. Williams, "Nonlinear Optical Properties of Organic and Polymer Materials" (ACS Symposium series 233, American Chemical Society, Washington, DC, 1983). CrossRef K. Bouchouit, Z. Sofiani, B. Derkowska, S. Abed, N. Benali-cherif, M. Bakasse and B. Sahraoui, "Investigation of crystal structure and nonlinear optical properties of 2-methoxyanilinium nitrate", Opt. Commun. 278, 180 (2007), CrossRef K. Bouchouit, H. Bougharraf, B. Derkowska-zielinska, N. Benali-cherif and B. Sahraoui, "Reversible phase transition in semi-organic compound p-Nitroanilinium sulfate detected using second harmonic generation as a tool", Opt.Mater. 48, 215 (2015), CrossRef J. H. Joshi, S. Kalainathan, M. J. Joshi and K. D. Parikh, "Crystal growth, spectroscopic, second and third order nonlinear optical spectroscopic studies of L-phenylalanine doped ammonium dihydrogen phosphate single crystals", Arab. J. Chem. 13, 5018 (2020), CrossRef A. Vijayakumar, A. Ponnuvel and A. Sasikala, "Growth and characterization of α and β form of L-histidine dihydrochloride single crystals", Mater. Today 14, 338 (2019), CrossRef C. Usha, R. Sathakuamri, Lynnette Joseph, D.Sajan, R.Meenakshi, and A.Sinthiya, "Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal", Heliyon 5, e01574 (2019), CrossRef P. Maadeshwaran and J. Chandrasekaran, "Synthesis, growth and characterization of l-valine cadmium chloride monohydrate—A novel semiorganic nonlinear optical crystal", Optik 122, 1128 (2011) CrossRef S. Pandiyaran, M. Umadevi, R. K. Rajaraman and V. K. Ramakrishnan, "Infrared and Raman spectroscopic studies of l-valine l-valinium perchlorate monohydrate", Spectrochim. Act A Mol. 62, 630 (2005) CrossRef S. Pandiarajan, B. Sridhar and R. K. Rajaram, "L-Valine L-valinium perchlorate monohydrate", Acta Crystallogr. E, 57, 0466 (2001) CrossRef M. Lydia Caroline and S. Vasudevan, "Growth and characterization of l-phenylalanine nitric acid, a new organic nonlinear optical material", Mater. Lett. 63, 41 (2009) CrossRef J. Tauc, R. Grigorovici and A. Vancu, "Optical Properties and Electronic Structure of Amorphous Germanium", Phy. Solid. Stat. 15, 627 (1966), CrossRef J. Tauc, A. Menth and D.L. Wood, "Optical and Magnetic Investigations of the Localized States in Semiconducting Glasses", Phys. Rev. Lett. 25, 749 (1970) CrossRef B. Thirumalaiselvam, R. Kanagadurai, D. Jayaraman and V. Natarajan, "Growth and characterization of 4-methyl benzene sulfonamide single crystals", Opt.Mater. 37, 74 (2014) CrossRef J. Bowman and M. Bevis, "The evaluation of the structure and hardness of processed plastics by the Vickers microhardness test", Colloid Polym. Sci. 255, 954 (1977) CrossRef S. K. Kurtz and T. T. Perry, "A Powder Technique for the Evaluation of Nonlinear Optical Materials", J. Appl. Phy. 39, 3798 (1968) CrossRef M. Prakash, D. Geetha and M. Lydia Caroline, "Crystal growth, structural, optical, spectral and thermal studies of tris(l-phenylalanine)l-phenylalaninium nitrate: A new organic nonlinear optical material", Spectrochim. Act A Mol. 81, 48 (2011) CrossRef
- Research Article
39
- 10.1515/msp-2017-0031
- Feb 24, 2017
- Materials Science-Poland
A single crystal of gamma-glycine (GG), a polymorph of glycine, was synthesized by crystallization. The single crystal of GG was grown from an aqueous solution. The morphology of GG was studied in order to assess its growth facets. The good quality single crystals were subjected to X-ray diffraction studies to reveal their structure. The FT-IR spectral analysis was carried out to confirm the presence of expected functional groups. The UV-Vis analysis was done for GG single crystals to determine the optical transparency and band gap. Simultaneous TG-DTA analysis was employed to understand the thermal and physicochemical stability of the title compound. The mechanical stability and laser stability of GG single crystal were studied using Vickers microhardness test and laser induced damage threshold on different planes of the crystal to reveal its anisotropic nature. The dielectric measurement was carried out as a function of frequency and the results were discussed. The existence of second harmonic generation (SHG) of the title compound was confirmed by Kurtz-Perry powder technique. The SHG effective nonlinearity and particle size dependence of GG powder sample were compared with a standard reference material: potassium dihydrogen phosphate (KDP).
- Research Article
30
- 10.1016/j.ijleo.2011.03.007
- Jul 13, 2011
- Optik
Linear and nonlinear optical properties of N-(3-nitrophenyl) acetamide single crystals
- Research Article
10
- 10.1007/s10973-016-5819-6
- Sep 29, 2016
- Journal of Thermal Analysis and Calorimetry
Sodium hydrogen succinate, an alkali metallo-organic third-order nonlinear optical crystal, had been grown successfully using aqueous solution by slow evaporation technique at room temperature. Transparent single crystals were selected and subjected to single-crystal X-ray diffraction analysis to identify lattice parameters, space group and morphology. The grown crystal was further subjected to powder X-ray diffraction to analyze the crystalline quality, UV–Vis–NIR spectral analysis to reveal optical transparency, FTIR spectroscopy for confirmation of the functional group analysis and TG–DTG/DSC analysis to determine the thermal stability. The dielectric constant and dielectric loss were studied as a function of frequency at different temperatures, and the results were discussed. The mechanical properties were calculated by Vickers microhardness test, and the third-order nonlinear optical parameters such as nonlinear refractive index, nonlinear absorption coefficient and real and imaginary parts of the third-order nonlinear optical susceptibility were determined by Z-scan technique.
- Research Article
13
- 10.1142/s0218863517500047
- Mar 1, 2017
- Journal of Nonlinear Optical Physics & Materials
Organic single crystal of nicotinium tartrate (NT), an efficient nonlinear optical (NLO) material for frequency conversion, has been grown at a constant temperature at 40[Formula: see text]C within a period of 20 days by slow evaporation solution technique (SEST). Structural information and lattice dimensions were determined using powder X-ray diffractometer (PXRD) analysis. The functional groups and vibrational frequencies were identified using FTIR spectrum analysis with the range of 4000–450[Formula: see text]cm[Formula: see text]. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. The optical properties of grown crystal were investigated using UV–Vis NIR spectrum analysis and it is confirmed that the crystal has very low absorption in the entire visible region. The dislocations and defects were studied by photoluminescence spectrum. The crystal has single stage melting, which was observed at 180[Formula: see text]C and there was no decomposition before its melting point. Piezoelectric, photoconductivity and chemical etching analysis have also been performed on the grown NT single crystals and the observed results were discussed. Nonlinear optical property of the material was measured using the powder Kurtz–Perry technique.
- Research Article
25
- 10.1016/j.matchemphys.2004.04.025
- Nov 26, 2004
- Materials Chemistry and Physics
Crystallization and characterization of l-histidinium perchlorate single crystal
- Research Article
101
- 10.1016/j.physb.2016.09.010
- Sep 12, 2016
- Physica B: Condensed Matter
Growth, spectral, thermal, laser damage threshold, microhardness, dielectric, linear and nonlinear optical properties of an organic single crystal: L-phenylalanine DL-mandelic acid
- Research Article
4
- 10.2478/msp-2019-0090
- Mar 1, 2020
- Materials Science-Poland
Single crystals of L-asparagine doped ammonium tetroxalate dihydrate were grown using slow evaporation solution growth technique with deionized water as a solvent. The shift and intensity of the peaks in the single crystal X-ray diffraction and Fourier transform infrared analyses confirmed the inclusion of L-asparagine in the ammonium tetroxalate dihydrate crystal structure. The optical transmission characteristics viz. optical band gap, optical conductivity, etc., were determined. Thermal studies revealed the occurrence of anomalies at 135.3 °C and 221.7 °C leading to the possibility of phase transitions and thereby, ferroelectric behavior. Vickers microhardness studies enabled determination of various microhardness parameters. Dielectric behavior was analyzed by varying the temperature and frequency. Anomalies were observed at 135 °C and 221 °C suggesting the existence of ferroelectric nature of the compound. Self-defocusing effect was observed. The polarization-electric field hysteresis loops showed a pinched effect due to defects induced by inclusion of dopant. The crystals were characterized by single crystal XRD, FT-IR, DRS, UV-Vis-NIR, Vickers microhardness test as well as thermal and dielectric techniques. In brief, L-asparagine as a dopant in ammonium tetroxalate dihydrate altered various physical properties of the crystals. They were highly transparent in the visible region with a wider optical band gap, softer material than the parent, higher phase transition temperature of 135 °C, negative nonlinearity and self-defocusing ability.
- Research Article
12
- 10.1007/s10854-020-03884-9
- Jul 6, 2020
- Journal of Materials Science: Materials in Electronics
The optically colorless l-asparagine thioacetamide (LATA) single crystal was grown by the slow evaporation method at room temperature with water as a solvent. The lattice parameters of the grown crystal have been analyzed by the single crystal X-ray diffraction and it belongs to orthorhombic system with space group P212121. The crystalline nature of the title material was confirmed by powder XRD analysis. The functional groups were confirmed by using FT-IR spectral analysis. The grown crystal has a UV cut-off wavelength at 236 nm and various optical parameters were analyzed theoretically by using UV–Visible transmittance data. The enhancement of second harmonic generation efficiency of LATA crystal was found to be 2.4 times higher than that of standard KDP. The laser damage threshold of LATA crystal is determined as 13.47 J/cm2 by using Nd–YAG laser operated at 1064 nm. In the photoluminescence spectrum, the sharp emission peak was noticed at 470 nm which implies the blue emission. The grown crystal shows the positive photoconductive nature. The fluctuation of dielectric permittivity (Ɛo) and dielectric loss (tan δ) were analyzed at different temperatures as a function of frequency. The grown crystal was thermally stable up to 110.38 °C and it was assessed by (TG/DTA) analysis. The Vickers microhardness test was accomplished to identify the mechanical stability of the grown crystal. Hence, LATA crystal is the most suitable material for the optoelectronic device applications.
- Research Article
106
- 10.1016/j.molstruc.2016.12.026
- Dec 10, 2016
- Journal of Molecular Structure
Growth, spectral and optical characterization of a novel nonlinear optical organic material: d-Alanine dl-Mandelic acid single crystal
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