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Title: Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal

Abstract

Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.

Authors:
 [1];  [2];  [3]
  1. Department of Physics, SSN College of Engineering, Kalavakkam (India)
  2. Sophisticated Analytical Instrument Facility, Indian Institute of Technology Madras, Chennai (India)
  3. Crystal Research Lab, Department of Physics, Anna University, Chennai (India)
Publication Date:
OSTI Identifier:
22581617
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 81; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION SPECTROSCOPY; BRITTLENESS; CRYSTAL GROWTH; EVAPORATION; FOURIER TRANSFORMATION; FRACTURE PROPERTIES; FRACTURES; IMIDAZOLES; INFRARED SPECTRA; MICROHARDNESS; MONOCLINIC LATTICES; MONOCRYSTALS; NMR SPECTRA; OPTICAL PROPERTIES; PHOSPHATES; X-RAY DIFFRACTION; YIELD STRENGTH

Citation Formats

Nagapandiselvi, P., E-mail: nagapandiselvip@ssn.edu.in, Baby, C., and Gopalakrishnan, R. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal. United States: N. p., 2016. Web. doi:10.1016/J.MATERRESBULL.2016.04.026.
Nagapandiselvi, P., E-mail: nagapandiselvip@ssn.edu.in, Baby, C., & Gopalakrishnan, R. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal. United States. doi:10.1016/J.MATERRESBULL.2016.04.026.
Nagapandiselvi, P., E-mail: nagapandiselvip@ssn.edu.in, Baby, C., and Gopalakrishnan, R. 2016. "Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal". United States. doi:10.1016/J.MATERRESBULL.2016.04.026.
@article{osti_22581617,
title = {Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal},
author = {Nagapandiselvi, P., E-mail: nagapandiselvip@ssn.edu.in and Baby, C. and Gopalakrishnan, R.},
abstractNote = {Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.},
doi = {10.1016/J.MATERRESBULL.2016.04.026},
journal = {Materials Research Bulletin},
number = ,
volume = 81,
place = {United States},
year = 2016,
month = 9
}
  • Single crystals of glycine doped potassium dihydrogen phosphate have been grown by slow evaporation solution technique, slow cooling along with seed rotation and Sankaranaryanan-Ramasamy method. The size of the grown crystal in slow cooling method was 35x25x20 mm{sup 3} and in SR method it was 20 mm in diameter and 110 mm in length. The grown crystals were characterized by HRXRD, UV-Visible, dielectric, Vickers microhardness, laser damage threshold and SHG studies. The crystalline perfection of the grown crystals has been analyzed by high resolution X-ray diffraction. The transmittance of the grown crystals is 66%, 70%, and 77% respectively and allmore » the crystals have good transparency in the entire visible region. The crystal grown by SR method glycine added KDP has much higher hardness value than other method grown crystals. Higher laser damage threshold was observed in SR method grown glycine added KDP crystal compared to SR method grown pure KDP crystal. The second harmonic generation efficiency of the glycine doped KDP is increased compared to pure KDP.« less
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  • Highlights: • Bulk size KDP crystal has been grown with higher growth rate. • Systematic study on the effect of starting materials has been done. • Crystalline perfection is maintained in the entire crystal. - Abstract: A systematic study on the effect of purity of starting materials on the growth and properties of potassium dihydrogen phosphate single crystals is crucial for the future study of the material for nonlinear optical applications. Potassium dihydrogen phosphate crystals were grown using high pure (99.999%) and ordinary (99.9%) starting raw materials using slow cooling method in identical conditions. Their optical transparency and crystalline perfectionmore » are studied by UV and high resolution X-ray diffraction analyses respectively. The results are checked with the help of etching analyses. The full width at half maximum is 8″ which is close to that expected from the plane wave theory of dynamical X-ray diffraction for an ideally perfect crystal. Results of those studies are correlated with each other. The quantitative results show that the raw material plays an important role in the growth of good quality crystals.« less
  • A sodium gadolinium phosphate crystal, Na{sub 3}GdP{sub 2}O{sub 8}, has been synthesized by a high-temperature solution reaction, and it exhibits a new structural family of the alkali-metal-rare-earth phosphate system. Although many compounds with formula M{sub 3}LnP{sub 2}O{sub 8} have been reported, but they were shown to be orthorhombic [R. Salmon, C. Parent, M. Vlasse, G. LeFlem, Mater. Res. Bull. 13 (1978) 439] rather than monoclinic as shown in this paper. Single-crystal X-ray diffraction analysis shows the structure to be monoclinic with space group C2/c and the cell parameters: a=27.55 (25), b=5.312 (4), c=13.935(11) A, {beta}=91.30(1){sup o}, and V=2038.80 A{sup 3},more » Z=4. Its structure features a three-dimensional GdP{sub 2}O{sub 8}{sup 3-} anionic framework with two different types of interesting tunnels at where Na atoms are located by different manners. The framework is constructed by Gd polyhedra and isolated PO{sub 4} tetrahedra. It is different from the structure of K{sub 3}NdP{sub 2}O{sub 8} [R. Salmon, C. Parent, M. Vlasse, G. LeFlem, Mater. Res. Bull. 13 (1978) 439] with space group P2{sub 1}/m that shows only one type of tunnel. The emission spectrum and the absorption spectrum of the compound have been investigated. Additionally, the calculations of band structure, density of states, dielectric constants, and refractive indexes have been also performed with the density functional theory method. The obtained results tend to support the experimental data. - Graphical abstract: Projection of the structure of Na{sub 3}GdP{sub 2}O{sub 8} with a unit cell edge along the b-axis. The Na-O bonds are omitted for clarity.« less
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