Single crystals of 2-Amino pyridinium-4-hydroxy benzoate (2AP4HB) have been successfully grown by controlled slow evaporation technique. The title compound was synthesized and single crystals were harvested utilizing methanol as a solvent. The crystalline structure and crystal phase studies were carried out by single crystal and powder X-ray diffraction techniques respectively. UV–Vis transmission plot was traced and band gap value has been calculated for the title compound. Laser induced damage threshold (LIDT) analysis of 2AP4HB single crystal has been performed employing 1064 nm wavelength Nd:YAG laser. Third order nonlinear optical (NLO) efficiency of grown 2AP4HP single crystals was probed using Z-Scan technique. Optical limiting study of 2AP4HB was carried out using continuous wave (cw) Nd:YAG laser to reveal its saturable absorption behavior and self-defocusing effect. © 2018 Elsevier B.V.

Krishnakumar K

Department of Multimedia

School of Design

Vellore Campus

Vinitha G

Physics

School of Advanced Sciences

Chennai Campus

Babu S

Department of Biotechnology

School of Bio Sciences and Technology

Karthick S

Thirupugalmani K

Brahadeeswaran S.

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.

&nbsp;

&nbsp;

VIT University

Materials Letters

It is reported that a novel third order organic nonlinear optical material namely, Pyrrolidin-1-ium 2-chloro-4-nitrobenzoate 2-chloro-4-nitrobenzoic acid (PCNCN) has been synthesized and grown by isothermal solvent evaporation solution growth technique. Single crystal X-ray diffraction analysis revealed that PCNCN belonged to monoclinic crystal system with a centrosymmetric space group of P21/c. The morphology of the as grown PCNCN crystal compared well with that obtained by theoretically generated morphology. The molecular vibrations of PCNCN were analyzed through Fourier transform infrared and NMR spectrum analyses. Optical properties such as transmittance, photoluminescence, and laser damage threshold were studied. The thermal stability of PCNCN was measured through TG-DTA measurement. The dielectric properties such as dielectric constant, dielectric loss, ac conductivity and activation energy of PCNCN single crystal were studied as a function of frequency at different temperatures. The PCNCN single crystals were further characterized for their third order nonlinear optical properties such as nonlinear absorption coefficient, nonlinear refractive index and optical limiting behavior using continuous wave Nd: YAG laser. The quantum chemical investigations were performed using B3LYP/6-311++G(d, p) basis set. © 2019 Elsevier Ltd

Optics & Laser Technology

Synthesis, structural, dielectric, laser damage threshold, third order nonlinear optical and quantum chemical investigations on a novel organic crystalline material: Pyrrolidin-1-ium 2-chloro-4-nitrobenzoate 2-chloro-4-nitrobenzoic acid for opto-electronic applications

The 2-amino-5-bromopyridinium trifluoroacetate (2A5BPTFA) crystal has been successfully grown by solvent slow evaporation technique. The grown crystal is found to non-centrosymmetric space group Pna21 with orthorhombic crystal system, which has been confirmed from single crystal X-ray diffraction analysis. The crystalline nature of the 2A5BPTFA is supported by powder X-ray diffraction technique. The molecular structure and different functional groups in 2A5BPTFA were confirmed by 1H, 13C NMR and FTIR spectral analyses. The intermolecular charge transfer that occurs in 2A5BPTFA molecule due to the presence of N–H⋯O and C–H⋯O hydrogen bondings have been studied by Hirshfeld surface analysis. From the UV–Vis absorption and photoluminescence spectra, the lower cutoff wavelength and emission peak are found to be 364 nm and 392 nm, respectively. In addition, the optical band gap of grown crystal has been calculated as 3.47 eV. Powder second harmonic generation efficiency of the crystal is observed to be 2.44 times greater than that of potassium dihydrogen phosphate. A positive photoconducting nature and low dielectric constant values have been obtained from photoconductivity and dielectric studies. From the Z-scan study reveals the self-defocusing nature of the grown crystal. Optical limiting study shows the optical limiting response of 2A5BPTFA crystal. In addition, the intermolecular charge transfer interactions and existence of N–H⋯O hydrogen bonding of the 2A5BPTFA have been confirmed by density functional theory methods and are discussed in detail. © 2019 Elsevier Ltd

Journal of Physics and Chemistry of Solids

Experimental and quantum chemical studies on SHG, Z-scan and optical limiting investigation of 2-amino-5-bromopyridinium trifluoroacetate single crystal for optoelectronic applications

In present investigation, single crystals of organic charge transfer complex, 2-amino-4-methyl pyridinium-4-methoxy benzoate (2A4MP4MB) was grown by controlled slow evaporation solution growth technique using methanol as a solvent at room temperature. Single crystal XRD analysis confirmed the crystal system and lattice parameters of 2A4MP4MB. The crystalline nature, presence of various vibrational modes and other chemical bonds in the compound have been recognized and confirmed by powder X-ray diffraction, FT-IR and FT-Raman spectroscopic techniques respectively. The presence of various proton and carbon positions in title compound was confirmed using 1H NMR and 13C NMR spectral studies. The wide optical operating window and cut-off wavelength were identified and band gap value of the title compound was calculated using UV-vis-NIR study. The specific heat capacity (cp) values of the title compound, 1.712 J g−1·K−1 at 300 K and 13.6 J g−1 K−1 at 433 K (melting point) were measured using Modulated Differential Scanning Calorimetric studies (MDSC). From Z-scan study, nonlinear refractive index (n2), nonlinear absorption (β) and third order nonlinear susceptibility (χ(3)) values were determined. The self-defocusing effect and saturable absorption behavior of the material were utilized to exhibit the optical limiting action at λ = 532 nm by employing the same continuous wave (cw) Nd: YAG laser source. The laser damage threshold (LDT) study of title compound was carried out using Nd: YAG laser of 532 nm wavelength. The Vickers’ micro hardness test was carried out at room temperature and obtained results were investigated using classical Meyer's law. In addition, DFT calculations were carried out for the first time for this compound. These characterization studies performed on the title compound planned to probe the valuable and safe region of optical, thermal and mechanical properties to improve efficacy of 2A4MP4MB single crystals in optoelectronic device applications. © 2017 Elsevier Ltd

Growth, spectral, optical, laser damage threshold and DFT investigations on 2-amino 4-methyl pyridinium 4-methoxy benzoate (2A4MP4MB): A potential organic third order nonlinear optical material for optoelectronic applications

Synthesis, crystal structure, thermal, mechanical and laser damage threshold studies of an NLO active organic molecular adduct: 4-Acetylpyridine:4-aminobenzoicacid

Synthesis, crystal structure, optical, thermal and dielectric studies of a potential novel organic material: l -histidinium fumarate fumaric acid monohydrate single crystal

Optical Materials

Second and third-order nonlinear optical and DFT calculations on 2-amino-5-chloro pyridinium-L-tartrate: A phasematchable organic single crystal

Second- and third-order nonlinear optical and quantum chemical studies on 2-amino-4-picolinium-nitrophenolate-nitrophenol: A phasematchable organic single crystal

Growth, structural, linear, nonlinear optical and laser induced damage threshold studies of an organic compound: 2-Amino pyridinium-4-hydroxy benzoate

Journal	Data powered by TypesetMaterials Letters
Publisher	Data powered by TypesetElsevier BV
ISSN	0167-577X
Open Access	No