Morpholinium dihydrogenphosphate (MDP) single crystals were synthesized, and were subsequently grown by controlled evaporation technique at room temperature for nonlinear optical applications. The grown crystal, which belongs to the monoclinic system with the space group P21, was subjected to single crystal X-ray diffraction to confirm the structure. UV–vis–NIR spectroscopy was done on the grown crystal and it showed good optical transparency in the entire visible region with a minimum cut-off wavelength of 289 nm. The optical band gap was computed as a function of photon energy using Tauc's plot. The refractive index of the grown crystal was determined using a Metricon Prism Coupler. The thermogravimetric (TG) and differential thermal analysis (DTA) traces disclosed the thermal stability of the compound. The mechanical strength of the crystal was investigated by a Vickers microhardness tester. Dielectric constant and dielectric loss were calculated and plotted as a function of frequency at different temperatures. The second harmonic conversion efficiency was determined using the Kurtz–Perry powder technique, and the efficiency was found to be 1.2 times greater than that of standard KDP. © 2016 Elsevier B.V.

Rajan Babu D

Department of Physics

School of Advanced Sciences

Vellore Campus

Ezhil Vizhi R

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

Journal of Crystal Growth

Single crystals of 4-acetylanilinium dihydrogen phosphate (4AADP), a novel third-order nonlinear optical material has been synthesized and successfully grown by the slow evaporation solution growth technique using acetone as a solvent at room temperature. The single crystal X-ray diffraction analysis implies that 4AADP crystallized into a monoclinic crystal system with the centrosymmetric space group P2 1 /c. The molecular structure of the grown 4AADP compound was evidently established by using 1 H and 13 C NMR spectral analysis. The vibrational behavior of the chemical bond and discrete functional groups of the grown crystal were identified using FT-IR and FT-Raman spectral analysis. UV–Visible-Near Infrared spectral analysis shows that the grown crystal was highly transparent in the entire visible range above 365 nm. The 4AADP compound was thermally stable up to 195 °C and it was ascertained by thermogravimetric and differential scanning calorimetric analysis. The photoactive behavior of the material was established from photoluminescence studies. The ionization energy (I) and electron affinity (A) were computed from the energy gap values of HOMO and LUMO orbitals respectively. The Molecular electrostatic potentials and Mulliken charges have also been calculated theoretically by applying DFT/B3LYP method. The nonlinear absorption coefficient (β), third order nonlinear refractive index (n 2 ) and third-order nonlinear optical susceptibility (χ 3 ) were calculated from Z-scan measurements, reveals that the grown crystal of 4AADP could serve as a promising source for nonlinear optical devices. © 2018

Journal of Molecular Structure

Synthesis, crystal growth, structural, spectral, thermal, optical characteristics and density functional theory calculations of a novel third-order nonlinear optical material: 4-acetylanilinium dihydrogen phosphate (4AADP) single crystals

Abstract: A single crystal of morpholinium oxalate (MO) was grown by the technique of slow evaporation at ambient temperature utilizing water as a solvent. Single crystal XRD reveals the MO crystal belongs to the monoclinic system with a centrosymmetric space group of P21/n. Powder XRD study demonstrates the crystalline quality. HRXRD study illustrates the crystalline perfection of the crystal and it is the key necessity for device fabrication. The optical transmittance (55%), cut-off wavelength (λ = 330 nm) and band gap energy (Eg = 2.61 eV) were determined by optical studies. Laser-induced surface damage threshold (LDT) analysis appraises the aptness of grown crystal for device fabrications and also the surface roughness of the sample was determined. The thermal stability and decomposition of the crystal were studied by thermogravimetric (TG) analysis and it was found that the material was thermally stable up to 179 °C. The various thermodynamical parameters were determined from TG analysis. The dielectric constant ɛ’ and dielectric loss ɛ’’ divulges the electrical properties of MO crystal and the various electronic parameters were also calculated. The nonlinear optical (NLO) behavior and optical limiting property were analyzed from Z-scan technique. Microhardness measurement was executed to recognize the mechanical strength of the MO crystal and its hardness value is 1.65 kg/mm2. Graphical abstract: [Figure not available: see fulltext.]. © 2019, Springer-Verlag GmbH Germany, part of Springer Nature.

Applied Physics A

Crystal growth, optical, physico-chemical and third-order nonlinear optical studies of morpholinium oxalate: a new organic single crystal for optical limiting application

A new third order nonlinear optical single crystal of Morpholin-4-ium hydrogen tartrate has been grown by the slow evaporation method. The lattice parameters and crystalline purity of this orthorhombic crystal were measured by single crystal X-ray diffraction and powder X-diffraction technique respectively. The optimized geometry shows that the morpholinium ring exist in a chair form where tartrate anions are linked via N–H⋯O hydrogen bonds, forming chains. These chains are linked via N–H⋯O and O–H⋯O hydrogen bonds, involving the morpholinium cation. The vibrational spectral investigation predicts that the red shifting of O–H and N–H stretching wavenumbers are due to O–H⋯O and N–H⋯O intermolecular interactions, respectively which are also evident form NBO analysis. The photoluminescence spectrum shows luminescence at the blue region with an appreciable lifetime leading to applications in blue OLEDs. Third order nonlinear optical properties like self-defocusing, saturable absorption and optical limiting at 532 nm are identified by Z-scan analysis. The laser damage threshold (LDT) energy have been measured by using Nd:YAG laser of wavelength 532 nm. The field dependent nature of first and second order hyperpolarizabilities and luminescence properties suggest that MHT crystal is a potential candidate for OLED and nonlinear optical applications. © 2019 Elsevier Ltd

Optics & Laser Technology

Growth of Morpholin-4-ium hydrogen tartrate single crystal for optical limiting application

Scientific Reports

Dielectric Characterization of a Nonlinear Optical Material

Studies on the structure, growth and characterization of morpholinium perchlorate single crystals

Materials Focus

A Simple Method for Hardness Prediction of Transition Metal Compounds

Acta Crystallographica Section E Structure Reports Online

Hydrogen-bond interactions in morpholinium bromide

Chemical Physics

Vibrational and thermodynamic properties and molecular motions in the incommensurate crystal of morpholinium tetrafluoroborate studied by 1H NMR

Growth and characterization of morpholinium dihydrogenphosphate single crystal

Journal	Data powered by TypesetJournal of Crystal Growth
Publisher	Data powered by TypesetElsevier BV
ISSN	0022-0248
Open Access	0