Kalainathan S

Department of Physics

School of Advanced Sciences

Vellore Campus

Jaikumar D

Bhagavannarayana G.

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Physica B: Condensed Matter

Optically good quality organic single crystals of imidazolium 3-nitrobenzoate (I3NB) have been grown by slow evaporation solution technique (SEST). The I3NB crystallized in monoclinic crystal system with space group P21/c, which is concluded from single crystal XRD analysis and the PXRD pattern was obtained for the crystal. The I3NB crystal was subjected to FTIR and FT-Raman spectral analyses to identify the functional groups of the I3NB compound. The optical transparency of the crystal was 80% and the cut-off wavelength was observed to be 321 nm. Thermal stability of the material was studied by TG/DTG and DSC analysis. The mechanical properties (hardness, yield strength and stiffness constant) of the crystal were analyzed by Vickers microhardness test. The electrical conductivity of the crystal was carried out by dielectric study. Z-scan method was adopted to investigate the third order nonlinear optical (NLO) properties of the crystal. Additional insight was gained from the theoretical investigation for the I3NB crystal. To achieve that, Density Functional Theory (DFT) calculations have been performed under solvation model to understand the geometrical and electronic structural features like frontier molecular orbital analysis (FMO), natural bond orbital analysis (NBO), molecular electrostatic potential (MEP) studies, dipole moment, polarizability and hyperpolarizability of the crystal. All these findings approve that the I3NB crystal is favorably suitable for NLO applications. © 2019

Journal of Molecular Structure

Investigation on growth, structural, characterization and DFT computing of imidazolium 3-nitrobenzoate (I3NB) single crystal – Towards third order nonlinear optical applications

Journal of Materials Science: Materials in Electronics

Synthesis, growth, and characterization of new stilbazolium derivative single crystal: 2-[2-(2,4-dimethoxy-phenyl)-vinyl]-1-ethyl-pyridinium iodide for third-order NLO applications

A single crystal of 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride has grown by slow evaporation solution growth technique using ethanol as solvent. The structural, thermal, optical and mechanical property has studied for the grown crystal. Single crystal XRD revealed that the crystal belongs to monoclinic system with space group P21/c. The presences of Functional groups in the crystallized material have confirmed using the FTIR vibrational spectrum. The optical absorbance spectrum recorded from 190 to 1100nm shows the cut-off wavelength occurs at 371nm. The material shows its transparency in the entire region of the visible spectrum. The photoluminescence spectrum shows the ultraviolet and blue emission in the crystal. Thermogravimetric and differential thermal analysis reveal the thermal stability of the grown crystal. Etching study shows the grown mechanism and surface features of the crystal. Vickers microhardness studies have carried out on the (01-1) plane to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. The Meyer's index number (n), and the stiffness constants for different loads has calculated and reported.

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Growth, optical, luminescence, thermal and mechanical behavior of an organic single crystal: 3-Acetyl-2-methyl-4-phenylquinolin-1-ium chloride

Optik - International Journal for Light and Electron Optics

Growth, HR-XRD, optical, thermal, luminescence and nonlinear optical studies of novel organic nonlinear optical crystal: l-Threonine formate

4-Chloro 4-nitrostilbene (CONS) a new organic nonlinear optical material has been synthesized. Employing slow evaporation method, good optical quality single crystals (dimensions up to 6×2×3 mm(3)) have been grown using ethyl methyl ketone (EMK) as a solvent. The grown crystals have been subjected to various characterizations such as single crystal X-ray diffraction, powder XRD, Fourier Transform Infrared spectroscopy (FTIR), proton NMR, solid UV absorption, SHG studies. Single crystal X-ray diffraction reveals that the crystal system belongs to monoclinic with noncentrosymmetric space group P21. The UV-Vis absorption spectrum has been recorded and found that the cut off wavelength is 380 nm. Functional groups and the structure of the title compound have been confirmed by FTIR and (1)H NMR spectroscopic analyses respectively. Molecular mass of the CONS confirmed by the high resolution mass spectral analysis .The thermal behavior of the grown crystal has been studied by TG/DTA analysis and it shows the melting point is at 188.66 °C. Dislocations and growth pattern present in the grown crystal revealed by the etching study. The mechanical strength of the CONS crystal has been studied by Vicker's hardness measurement. The SHG efficiency of the grown crystal has been determined by Kurtz and Perry powder test which revealed that the CONS crystal (327 mV) has 15 times greater efficiency than that of KDP (21.7 mV).

Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): A potential NLO material

Journal of Crystal Growth

Synthesis, growth, thermal, optical and mechanical properties of new organic NLO crystal: l-alanine dl-malic acid

Crystal Research and Technology

Optical and mechanical properties of a new second order nonlinear optical crystal urea l-threonine

A new nonlinear optical material, l-alanine acetate (l-AlAc) has been synthesized. Single crystals of l-AlAc have been grown by the slow cooling method. Bulk crystals have been grown with a solution pH of 3.0. The grown crystals were subjected to various characterization studies such as chemical etching, dielectric measurement, FTIR analysis, UV-visible spectrum and powder SHG test. The structure of the crystal was confirmed by single-crystal X-ray diffraction analysis. l-AlAc crystals exhibit better thermal and mechanical stability with improved optical properties. © 2004 Elsevier B.V. All rights reserved.

Studies on the growth aspects of semi-organic l-alanine acetate: a promising NLO crystal

Structural and thermal characterization of a semiorganic NLO material: l-alanine cadmium chloride

Journal of Applied Crystallography

Enhancement of crystalline perfection by organic dopants in ZTS, ADP and KHP crystals as investigated by high-resolution XRD and SEM

Structural, spectral, thermal, dielectric, mechanical and optical properties of urea l-alanine acetate single crystals

Journal	Data powered by TypesetPhysica B: Condensed Matter
Publisher	Data powered by TypesetElsevier BV
ISSN	0921-4526
Open Access	0