Unidirectional growth ofL-cysteine hydrochloride monohydrate: first time observation as nonlinear optical material and its characterization

2010 ◽  
Vol 43 (4) ◽  
pp. 710-715 ◽  
Author(s):  
G. Bhagavannarayana ◽  
Suman Kumar ◽  
Mohd Shakir ◽  
S. K. Kushawaha ◽  
K. K. Maurya ◽  
...  
Keyword(s):  
Dielectric Constant ◽  
Dielectric Loss ◽  
Single Crystal ◽  
Nonlinear Optical ◽  
Grown Crystal ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
X Ray ◽  
Cysteine Hydrochloride ◽  
First Time

A bulk size (∼60 mm length and 20 mm diameter) single crystal of L-cysteine hydrochloride monohydrate has been successfully grown for the first time by the unidirectional Sankaranarayanan–Ramasamy method and found to be a nonlinear optical material by observing the second harmonic generation (SHG). The crystal structure has been confirmed by single-crystal as well as powder X-ray diffraction analysis. The Fourier transform–Raman technique was used to study the vibrational modes and functional groups. The grown crystal was found to be highly transparent. The crystalline perfection has been evaluated by high-resolution X-ray diffractometry and the grown crystal was found to be free from macroscopic defects such as structural grain boundaries. The relative SHG efficiency and laser damage threshold values were found to be 1.2 and 5.5 times that of a potassium dihydrogen phosphate crystal, respectively. The dielectric constant, dielectric loss and alternating current conductivity were measured by an impedance analyser over a wide range of frequency between 100 Hz and 5 MHz. The dielectric constant was found to be stable for the entire range of frequency with very small dielectric loss, making this material suitable for device applications. The present investigation reveals that the title compound, since it can be grown with desirable size along a predetermined direction and it is a good nonlinear optical material with the prerequisite optical and dielectric properties, is a good candidate for photonic or opto-electronic applications.

Growth, Vibrational, Optical, Mechanical and DFT Investigations of an Organic Nonlinear Optical Material – Phenylurea

2019 ◽  
Vol 233 (11) ◽  
pp. 1659-1682 ◽  
Author(s):  
Marappan Dinesh ◽  
Palanisamy Maadeswaran ◽  
Mon-Shu Ho ◽  
Balraj Babu ◽  
Sivakumar Chandrasekar
Keyword(s):  
Single Crystal ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Grown Crystal ◽  
Second Harmonic ◽  
Material Behavior ◽  
Optical Material ◽  
Mulliken Charge ◽  
Cutoff Wavelength ◽  
Nonlinear Optical Material

Abstract In this work, combined experimental and computational studies of an organic nonlinear optical material, phenylurea (PU), are reported. Optical quality single crystal of PU, was successfully grown by the slow evaporation method. The unit cell parameters of the grown PU crystal belong to the monoclinic system and these belong to the non-centrosymmetric (NCS), P21, space group. Morphology of the crystal was indexed and it reveals its 14 distinct faces. Vibrational modes of PU functional groups were assigned successfully using FTIR and Raman spectrum. The grown crystal exhibits low cutoff wavelength at UV region with good optical transparency and blue wavelength emission. The preliminary measurements confirmed that second harmonic generation (SHG) activity (∼7.6 KDP and ∼2.2 urea) with excellent laser induced threshold damage (LDT) having a value of 2.92 GW/cm2 (∼1.95 urea). TG/DTA analysis shows that endothermic nature of grown crystal with thermal stability up to 154 °C. The Vickers micro hardness test confirms soft material behavior of PU crystal and it was further explored by crystal void percentage calculation. Electrical properties such as dielectric and photoconductivity measurements were carried out for grown crystal. Furthermore, density functional theory (DFT) studies such as Mulliken charge distribution, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) map and first order hyperpolarizability (β) were determined to probe the structure-property relationship. These results suggest that PU single crystal can be a better alternate for urea in NLO applications.

X-ray powder diffraction analysis of a nonlinear optical material o–chlorobenzol–benzoyl thiourea

1997 ◽  
Vol 12 (1) ◽  
pp. 47-48 ◽  
Author(s):  
Zong-ming Jin ◽  
Bo Zhao ◽  
Weiqun Zhou ◽  
Zheng Jin
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Nonlinear Optical ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Figures Of Merit ◽  
Experimental Values

A nonlinear optical material, o–chlorobenzol–benzoyl thiourea (C14H11ClN2OS), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 78 observed reflection with 2θ up to 72° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 28 nonoverlapping peaks of the monoclinic compound with a P2 space group are a=13.2797(4) Å, b=12.4058(8) Å, c=8.1561(2) Å, β=95.398(1)°, V=1337.7(4) Å3, Z=4, Dx=1.444 g/cm3. © 1997 International Centre for Diffraction Data.

Crystal structure, molecular packing, FMO, NBO, nonlinear optical and optical limiting properties of an organic imidazolium diphenylacetate diphenylacetic acid single crystal

2018 ◽  
Vol 42 (4) ◽  
pp. 2439-2449 ◽  
Author(s):  
RO. MU. Jauhar ◽  
Paavai Era ◽  
V. Viswanathan ◽  
P. Vivek ◽  
G. Vinitha ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Optical Activity ◽  
Structural Characterization ◽  
Nonlinear Optical ◽  
Optical Limiting ◽  
Molecular Packing ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
Diphenylacetic Acid

A new organic nonlinear optical material, imidazolium diphenylacetate diphenylacetic acid, with excellent structural characterization and nonlinear optical activity has been reported.

X-ray powder diffraction analysis of a nonlinear optical material N-(p-methoxy benzoyl)-N′-(o-methyl phenyl) thiourea

2002 ◽  
Vol 17 (3) ◽  
pp. 241-243 ◽  
Author(s):  
Weiqun Zhou ◽  
Zhenjiang Zhang ◽  
Zheng Jin ◽  
Zong-ming Jin
Keyword(s):  
Powder Diffraction ◽  
Nonlinear Optical ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Figures Of Merit ◽  
Experimental Values ◽  
Methyl Phenyl

A nonlinear optical material, N-(p-methoxy benzoyl)-N′(o-methyl phenyl) thiourea (C16H16N2O2S), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 90 observed reflections with 2θ up to 88° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The least-squares refined unit cell parameters are a=26.7079(3) Å, b=6.7995(9) Å, c=19.2845(1) Å, β=121.39(4), V=2989.42(3) Å3, Z=8, Dx=1.334(8) g/cm3, space group P2(3).

scholarly journals Synthesis, Crystal Growth, Structure, Crystalline Perfection, Thermal, Linear and Nonlinear Optical Investigations on 2-Amino-5-Nitropyridine 4-Chlorobenzoic Acid (1:1): A Novel Organic Single Crystal for NLO and Optical Limiting Optical Applications

2021 ◽  
Author(s):  
Sivasubramani Vediyappan ◽  
Arumugam Raja ◽  
Ro Mu Jauhar ◽  
Ramachandran Kasthuri ◽  
Vishwanathan Vijayan ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Single Crystals ◽  
Nonlinear Optical ◽  
Grown Crystal ◽  
Solid State Laser ◽  
X Ray Diffraction ◽  
Chlorobenzoic Acid ◽  
X Ray ◽  
532 Nm

Abstract 2-amino-5-nitropyridine 4-chlorobenzoic acid (1:1) (2A5NP4CBA), a potentially useful organic adduct compound has been synthesized and grown as optically transparent single crystals by conventional slow evaporation solution technique (SEST) for the first time in the literature. The formation of the new crystalline material was confirmed by the single-crystal X-ray diffraction (SXRD) analysis and the crystal structure of the grown crystal was found to be monoclinic. Fourier transform infrared (FTIR) spectrum has been recorded by the KBr pellet technique to determine the various vibrational functional groups in the title material. The powder X-ray diffraction (PXRD) and high-resolution X-ray diffraction (HRXRD) analyses have been carried out and the obtained results reveal that the grown crystal has a single-phase and is free from structural grain boundaries. The obtained less value (32 arc-s) of full width at half maximum (FWHM) for (001) plane indicates the excellent crystalline quality of the title 2A5NP4CBA single crystal. The linear optical properties were evaluated by the UV-vis-NIR absorption and transmittance analyses and the obtained results reveal that the grown crystal possesses more than 70% of optical transmittance window with the cut-off edge at 419 nm. The thermal analysis discloses that the grown crystal possesses good thermal stability of about 187°C. To determine the appropriateness of the grown crystal for the high-power laser application, laser damage threshold (LDT) analysis has been carried out by Nd: YAG laser of a wavelength of 1064 nm. The third-order nonlinear optical coefficients such as nonlinear absorption (β), nonlinear refraction (n 2 ) and nonlinear susceptibility (χ (3) ) have been evaluated by utilizing the single beam Z-scan technique using a solid-state laser of wavelength 532 nm. The calculated ꭓ (3) value is found to be reasonably good compared to other organic single crystals which are reported in the literature. The optical limiting (OL) behavior of the title crystal was evaluated using a solid-state laser at 532 nm and the limiting threshold was found to be 7.8 mW/cm 2 .

Sign in / Sign up

Export Citation Format

Share Document