scholarly journals Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
R. S. Sreenivasan ◽  
N. Kanagathara ◽  
G. Ezhamani ◽  
N. G. Renganathan ◽  
G. Anbalagan
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Second Harmonic ◽  
Visible Region ◽  
Lattice Parameters ◽  
Cutoff Wavelength ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Second Harmonic Generation Efficiency ◽  
X Ray

In the present work, metal (Cu2+)-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parametersa=11.28 Å,b=5.98 Å,c=5.71 Å,α=90∘,β=98.57,γ=90∘, andV=381 (Å)3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

scholarly journals Growth, structural and optical properties of novel nonlinear optical potassium phthalate di lithium borate (KPDLiB) single crystals

2020 ◽  
Vol 38 (2) ◽  
pp. 214-218
Author(s):  
K. Mohanraj ◽  
D. Balasubramanian ◽  
N. Jhansi
Keyword(s):  
Single Crystals ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Visible Region ◽  
Fluorescence Emission ◽  
Lithium Borate ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Evaporation Technique

AbstractNovel nonlinear optical semi-organic, potassium phthalate di lithium borate (KPDLiB) single crystals were successfully grown by the slow solvent evaporation technique. Good crystalline nature and an orthorhombic structure were confirmed by powder X-ray diffraction and single crystal X-ray diffraction studies. The functional groups of KPDLiB were identified using FT-IR spectrum recorded in the range of 4000 cm−1 to 450 cm−1. UV-Vis spectrum showed transmitting ability of the crystals in the entire visible region. The photoluminescence spectrum exhibited good fluorescence emission in a visible region at 384 nm, 416 nm and 578 nm. The second harmonic generation efficiency of the grown crystal was evaluated from Kurtz powder technique.

scholarly journals Growth, Structural, Spectral, Thermal, Optical, Second and Third Order Nonlinear Optical Properties of Imidazolium Hydrogen Squarate (IHS) Single Crystal

2021 ◽  
Vol 9 (12) ◽  
pp. 1954-1965
Author(s):  
P. Gayathri
Keyword(s):  
Thermal Analysis ◽  
Single Crystal ◽  
Grown Crystal ◽  
Second Harmonic ◽  
Powder Xrd ◽  
Cutoff Wavelength ◽  
Third Order ◽  
Monoclinic System ◽  
Second Harmonic Generation Efficiency ◽  
X Ray

Abstract: Imidazolium hydrogen squarate (IHS) crystal has been grown by slow evaporation solution growth technique at room temperature. The lattice parameters of grown crystal were determined using single crystal X-ray diffraction data and compared with powder XRD. Single crystal XRD shows that the crystal crystallizes in monoclinic system with noncentrosymmetric space group Pc. The crystallinity of the grown crystal was confirmed by X-ray powder diffraction analysis. FT-IR and FT-RAMAN analyses qualitatively confirm the various functional groups present in the grown crystal. The 1H and 13C NMR spectra were recorded to establish the molecular structure. Thermal properties of title crystal were studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The UV-Vis-NIR transmission spectrum was recorded to find the band width of optical transmittance window and the lower cutoff wavelength. The optical band gap value of the material is evaluated to be 5.6 eV. The second harmonic generation efficiency was calculated by the Kurtz and Perry powder method using a Q-switched mode locked Nd: YAG laser emitting 1064 nm laser as source. Finally, Z-scan technique was employed to determine the nonlinear refractive index, nonlinear absorption coefficient and third-order NLO susceptibility to find suitability of the grown crystal in photonics and optoelectronics applications. Keywords: Single crystal; Powder XRD; thermal analysis; SHG; Z-scan studies

Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate

2015 ◽  
Vol 48 (3) ◽  
pp. 844-852 ◽  
Author(s):  
A. Aditya Prasad ◽  
S. P. Meenakshisundaram
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Crystal Packing ◽  
Visible Region ◽  
Cutoff Wavelength ◽  
Supramolecular Architecture ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Hydrogen Bonding Interactions

Single crystals of ammonium 2,4-dinitrophenolate hydrate (ADH) were grown by the slow evaporation solution growth technique. The structure is elucidated by single-crystal X-ray diffraction analysis and the crystal belongs to an orthorhombic system with noncentrosymmetric space groupPna21. The second harmonic generation efficiency of ADH is superior to that of the reference material KH2PO4. The X-ray study reveals that molecules are associated by weak C—H...O, O—H...N, N—H...π and π–π stacking interactions, which are responsible for the formation and strengthening of the supramolecular assembly. Inter- and intramolecular hydrogen-bonding interactions support the supramolecular architecture in the crystal packing. Three different types of architecture,i.e.column-like packing, a sandwich model of packing and a cluster network type of infrastructure, are observed. Optical studies reveal that the absorption is minimum in the visible region and the cutoff wavelength is at ∼240 nm. The band-gap energy was estimated by the application of the Kubelka–Munk algorithm. The powder X-ray diffraction pattern reveals the good crystallinity of the as-grown specimen. Investigation of the intermolecular interactions and crystal packing using Hirshfeld surface analysis, based on single-crystal X-ray diffraction, reveals that the close contacts are associated with molecular interactions. Fingerprint plots of Hirshfeld surfaces were used to locate and analyze the percentage of hydrogen-bonding interactions.

Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone

2021 ◽  
Vol 77 (2) ◽  
Author(s):  
Venkatasamy Meenatchi ◽  
Subramanian Siva ◽  
SP Meenakshisundaram ◽  
Liang Cheng
Keyword(s):  
Single Crystal ◽  
Density Functional ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Visible Region ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray

Single crystals of (E)-N′-(4-isopropylbenzylidene)isonicotinohydrazide monohydrate (IBIHM) were grown from ethanol by the slow evaporation from solution growth technique at room temperature. The structure was elucidated by single-crystal X-ray diffraction analysis and crystallized in the orthorhombic system with noncentrosymmetric space group P212121. Optical studies reveal that the absorption was minimum in the visible region and the band-gap energy was estimated using the Kubelka–Munk algorithm. The functional groups were identified by Fourier transform infrared spectral analysis. A scanning electron microscopy study revealed the surface morphology of the grown crystal. Investigation of the intermolecular interactions, crystal packing using Hirshfeld surface analysis and single-crystal X-ray diffraction confirm that the close contacts were associated with molecular interactions. Fingerprint plots of Hirshfeld surfaces are used to locate and analyze the percentage of hydrogen-bonding interactions. The second-harmonic generation efficiency of the grown specimen was superior to that of the reference material, potassium dihydrogen phosphate. The grown crystals were further characterized by mass spectrometry and elemental analysis. Theoretical studies using density functional theory (DFT) greatly substantiated the experimental observations. Large first-order molecular hyperpolarizability (β) of about ∼70× was observed for IBIHM. The efficiency of IBIHM in terms of nonlinear optical response was verified and the molecule displayed greater chemical stability and reactivity.

Powder X-ray diffraction data for Ba4ZnTi11O27 and Ba2ZnTi5O13

1994 ◽  
Vol 9 (1) ◽  
pp. 56-62 ◽  
Author(s):  
C. G. Lindsay ◽  
C. J. Rawn ◽  
R. S. Roth
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Unit Cell Dimensions

Single crystals and powder samples of Ba4ZnTi11O27 and Ba2ZnTi5O13 have been synthesized and studied using single-crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated from a least-squares refinement with a final maximum Δ2θ of 0.05°. Both phases were found to have monoclinic cells, space group C2/m. The refined lattice parameters for the Ba4ZnTi11O27 compound are a= 19.8687(8) Å, b=11.4674(5) Å, c=9.9184(4) Å, β= 109.223(4)°, and Z=4. The refined lattice parameters for the Ba2ZnTi5O13 compound are a= 15.2822(7) Å, b=3.8977(1) Å, c=9.1398(3) Å, β=98.769(4)°, and Z=2.

AlkalineEarthMetal-Hydride-Iodide Compounds: Syntheses andCrystal Structures of Sr2H3I and Ba5H2I3.9(2)O2

2011 ◽  
Vol 66 (1) ◽  
pp. 21-26
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Structural Model ◽  
Structure Type ◽  
Lattice Parameters ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Compounds

Single crystals of Sr2H3I andBa5H2I3.9(2)O2 were obtained by reacting Sr or Ba, respectively, with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules for 13 h at 1200 K. The crystal structures of the new compounds have been determined by means of single-crystal X-ray diffraction. Sr2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Ba2H3Cl in the space group P3m1 (no. 164) with the lattice parameters a = 426.0(1) and c = 774.9(2) pm, while Ba5H2I3.9(2)O2 crystallizes in a new structure type in the space group Cmcm (no. 63) with the lattice parameters a = 1721.0(2), b = 1452.5(2) and c = 639.03(9) pm. The structural results for Sr2H3I are corroborated by EUTAX calculations. For the disordered compound Ba5H2I3.9(2)O2, EUTAX calculations on an approximated, ordered structural model were used to find possible insights into the disorder

Synthesis, Growth and Optical Studies of Mn: α-LiIO3 Single Crystal

2012 ◽  
Vol 584 ◽  
pp. 3-7 ◽  
Author(s):  
R. Ashok Kumar ◽  
D. Rajan Babu ◽  
R. Ezhil Vizhi ◽  
N. Vijayan ◽  
G. Bhagavannarayana
Keyword(s):  
Single Crystal ◽  
Grown Crystal ◽  
Second Harmonic ◽  
Visible Region ◽  
X Ray Diffraction ◽  
X Ray ◽  
Optical Instruments ◽  
Optical Applications ◽  
Nonlinear Optical Applications ◽  
Mn Doped

Manganese doped alpha-lithium iodate have been synthesized and single crystals have been grown for nonlinear optical applications. The grown crystal has been subjected to single crystal X-ray diffraction to confirm the structure. The crystalline perfection was assessed by high-resolution X- ray diffractometer (HRXRD). Second harmonic generation (SHG) efficiency was found to be 71 times than that of KDP. The UV–Vis-NIR spectroscopic study revealed that the grown crystal has good optical transparency in the visible region clearly indicates that Mn doped α-LiIO3 crystals can be used as window material in optical instruments. Presence of dopant was confirmed by energy-dispersive spectrometry.

Unidirectional growth and characterization of L-tartaric acid single crystals

2013 ◽  
Vol 46 (4) ◽  
pp. 993-998 ◽  
Author(s):  
K. Moovendaran ◽  
S. Natarajan
Keyword(s):  
Single Crystals ◽  
Tartaric Acid ◽  
Second Harmonic ◽  
Nir Spectroscopy ◽  
Damage Threshold ◽  
Laser Damage Threshold ◽  
Solution Technique ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray

Single crystals of L-tartaric acid (LTA), an organic nonlinear optical material, have been grown using a home-built crystal growth setup (the Moovendaran–Kalyanasundar–Natarajan setup). Crystals of LTA were also grown by the slow evaporation solution technique. These single crystals were characterized using single-crystal X-ray diffraction, high-resolution X-ray diffraction, and IR and UV–Vis–NIR spectroscopy. In addition, measurements of Vickers microhardness, laser damage threshold value and second harmonic generation efficiency are reported. Thermal, dielectric and photoluminescence studies were also carried out.

Enhancement of second harmonic generation, optical and dielectric properties inL-asparagine monohydrate single crystals due to an improvement in crystalline perfection by annealing

2010 ◽  
Vol 43 (3) ◽  
pp. 491-497 ◽  
Author(s):  
Mohd. Shakir ◽  
S. K. Kushawaha ◽  
K. K. Maurya ◽  
Sumeet Kumar ◽  
M. A. Wahab ◽  
...  
Keyword(s):  
Dielectric Properties ◽  
Second Harmonic Generation ◽  
Single Crystals ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
X Ray Diffraction ◽  
Crystalline Perfection ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Asparagine Monohydrate

Single crystals of the relatively new nonlinear optical material L-asparagine monohydrate have been successfully grown by the slow evaporation solution growth technique at room temperature in aqueous solution. The crystal system of the title material has been confirmed by powder X-ray diffraction. The crystalline perfection of the as-grown and annealed crystals has been evaluated by high-resolution X-ray diffraction. The as-grown single crystals (particularly when their size is large) were found to contain internal structural grain boundaries, and the crystalline perfection of these crystals was found to be improved substantially by annealing at low temperatures. The crystalline perfection and the measured physical properties were found to be correlated such that the second harmonic generation efficiency, optical transparency, fluorescence and dielectric properties are enhanced as the crystal quality improves.

scholarly journals Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl3)[UCl6]

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Holger Lars Deubner ◽  
Sergei I. Ivlev ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Lattice Parameters ◽  
Structure Model ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ionic Compound ◽  
Distorted Octahedral ◽  
Atomic Coordinates

Single crystals of trichloridosulfonium(IV) hexachloridouranate(V) were obtained from the reaction of uranium(IV) chloride with an excess of disulfur dichloride and studied by single-crystal X-ray diffraction. In comparison with the structure model reported previously [Sawodny et al. (1983). Z. Anorg. Allg. Chem. 499, 81–88.], the lattice parameters and fractional atomic coordinates were determined to a much higher precision, leading overall to an improved structure model. The ionic compound contains trigonal–pyramidal (SCl3)+ cations and slightly distorted octahedral [UCl6]− anions. The structure was refined as an inversion twin with a twin ratio of 4.4:1.

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