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

Author(s):  
P. Gayathri

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

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
R. S. Sreenivasan ◽  
N. Kanagathara ◽  
G. Ezhamani ◽  
N. G. Renganathan ◽  
G. Anbalagan

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.


Nonlinear optical lithium sodium sulphate hexahydrate (LSS) crystal of 17 mm x 14 mm x 12 mm dimension was harvested by temperature reducing method. The single crystal and powder X-ray diffraction investigation studies reveal the crystal system and crystalline characters of grown LSS crystal. The FT-IR spectrum of LSS crystal was recorded to confirm its functional constituents present in the synthesized compound. Mechanical ability of the grown LSS crystal was studied by Vicker’s hardness method. The etching pattern was recorded to identify the growth feature of the grown crystal. The parameters of dielectric constant and dielectric loss were calculated for the grown crystal. Thermal analysis was carried out on the crystal by employing thermogravimetric method. The cutoff wavelength and optical transmittance character and second harmonic generation efficiency of the LSS crystal were done by UV-Visible and Kurtz-Perry studies respectively.


2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
S. Sudhahar ◽  
M. Krishna Kumar ◽  
A. Silambarasan ◽  
R. Muralidharan ◽  
R. Mohan Kumar

2-Amino-4,6-dimethylpyrimidinium p-hydroxybenzoate (ADPHB), a novel organic material, was synthesized, and crystals were grown by slow evaporation solution growth method. The cell parameters and crystalline perfection of the grown crystal were studied by single crystal and powder X-ray diffraction analyses. The presence of various functional groups of the grown crystal was confirmed using Fourier Transform infrared spectral analysis. UV-Visible spectrum shows that ADPHB crystals have high transmittance in the range 305–900 nm. The refractive index and transient photoluminescence properties of the grown crystal were analyzed. The laser induced surface damage threshold, optical birefringence, and second harmonic generation efficiency of the grown crystal were studied.


2019 ◽  
Vol 37 (3) ◽  
pp. 304-309
Author(s):  
Azeezaa Varsha Mohammed ◽  
Suresh Sagadevan

AbstractL-cysteine hydrogen fluoride (LCHF) single crystals were grown from aqueous solution. Single crystal X-ray diffraction, FT-IR, UV-Vis-NIR, and TG-DTA were used to test the grown crystals. The specimen dielectric and mechanical behaviors were also studied. Powder X-ray diffraction of the grown crystal was recorded and indexed. The optical properties of the LCHF crystal were determined using UV-Vis spectroscopy. It was found that the optical band gap of LCHF was 4.8 eV. The crystal functional groups were identified using FT-IR. Second harmonic generation (SHG) efficiency of the LCHF was three times higher than that of KDP. The dielectric constant, dielectric loss and AC conductivity were measured at different frequencies and temperatures.


2012 ◽  
Vol 584 ◽  
pp. 3-7 ◽  
Author(s):  
R. Ashok Kumar ◽  
D. Rajan Babu ◽  
R. Ezhil Vizhi ◽  
N. Vijayan ◽  
G. Bhagavannarayana

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.


2015 ◽  
Vol 48 (3) ◽  
pp. 844-852 ◽  
Author(s):  
A. Aditya Prasad ◽  
S. P. Meenakshisundaram

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.


2013 ◽  
Vol 01 (02) ◽  
pp. 1350004
Author(s):  
A. SILAMBARASAN ◽  
M. KRISHNA KUMAR ◽  
S. SUDHAHAR ◽  
A. THIRUNAVUKKARASU ◽  
R. MOHAN KUMAR ◽  
...  

An organic compound Bis DL-Valine picrate (BDLVP) was synthesized successfully and single crystal was grown by slow evaporation solution growth method. The presence of functional groups in the compound was identified by FTIR spectral analysis. Single crystal X-ray diffraction study revealed that the grown crystal belongs to P21/n space group of monoclinic crystal system. Powder X-ray diffraction pattern was recorded to know the crystalline perfection of the grown crystal. The reaction mechanism, thermal decomposition stages and thermal stability of the grown crystal were studied by using TG/DTA analysis. From the UV-visible spectral study, the electronic band gap energy (Eg) of the grown crystal was found to be 2.43 eV. The second harmonic generation (SHG) efficiency of grown crystal was found to be 1.3 times higher than KDP crystal by using Kurtz powder SHG technique. The microhardness property of the grown crystal was examined by Vicker's microhardness test.


2018 ◽  
Vol 24 (8) ◽  
pp. 5785-5789
Author(s):  
A Mani ◽  
K Rajesh ◽  
P. Praveen Kumar

Single crystals of bis 2,5-dimethylanilinium sulfate (bis 2,5-DAS) were grown by slow evaporation solution growth technique at room temperature. The crystalline nature of the grown crystal was confirmed by the single crystal X-ray data. Bis 2,5-DAS crystal was found to crystallize in monoclinic system with non-centrosymmetric space group Cc. The various functional groups presented in the crystal were confirmed by FT-IR spectroscopic studies. Optical transmittance of the grown crystal was studied by UV–Vis–NIR spectroscopy. The dielectric loss and dielectric constant measurement as a frequency and temperature were measured on bis 2,5-DAS single crystal. The thermal stability and decomposition stages of the grown crystal were studied by TG-DTA analysis. Microhardness measurements revealed that bis 2,5-DAS belongs to a soft material category. Laser damage threshold studies were carried out for the grown crystal. The second harmonic generation of the crystal was confirmed and the efficiency was measured using Kurtz Perry powder method.


Author(s):  
Venkatasamy Meenatchi ◽  
Subramanian Siva ◽  
SP Meenakshisundaram ◽  
Liang Cheng

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.


2014 ◽  
Vol 32 (2) ◽  
pp. 164-170 ◽  
Author(s):  
B. Babu ◽  
J. Chandrasekaran ◽  
S. Balaprabhakaran

AbstractOrganic nonlinear optical single crystals of hexamethylenetetramine (HMT; 10 × 10 × 5 mm3) were prepared by crystallization from methanol solution. The grown crystals were subjected to various characterization techniques such as single crystal XRD, powder XRD, UV-Vis and electrical studies. Single crystal XRD analysis confirmed the crystalline structure of the grown crystals. Their crystalline nature was also confirmed by powder XRD technique. The optical transmittance property was identified from UV-Vis spectrum. Dielectric measurements were performed as a function of frequency at different temperatures. DC conductivity and photoconductivity studies were also carried out for the crystal. The powder second harmonic generation efficiency (SHG) of the crystal was measured using Nd:YAG laser and the efficiency was found to be two times greater than that of potassium dihydrogen phosphate (KDP).


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