A new organic nonlinear optical material, imidazolium diphenylacetate diphenylacetic acid, with excellent structural characterization and nonlinear optical activity has been reported.

Viswanathan V

Computer Science

School of Computer Science and Engineering

Chennai Campus

Vivek V

Department of Multimedia

School of Design

Vellore Campus

Vinitha G

Physics

School of Advanced Sciences

Jauhar R.M

Era P

Velmurugan

Murugakoothan P.

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

New Journal of Chemistry

A conventionally grown organic nonlinear optical crystal bisguanidinium isophthalate monohydrate was structurally investigated using single crystal X-ray diffraction study. The lattice constants, supramolecular arrangements and the hydrogen bond formation of the title compound confirm the formation of novel organic crystalline material. The various functional groups present in the crystalline material were resoluted by employing FT-IR spectral analysis. The wide-range optical transparency of the compound in the entire visible region ensures the optical quality with a lower cut-off wavelength at 298 nm was analysed experimentally using UV–vis–NIR spectrometer. The support of DFT was scrutinized to report the optimized structure, electronic state properties, hyper-conjugative interactions and frontier molecular energy gap of the bisguanidinium isophthalate compound. The charge transfer mechanism of bisguanidinium isophthalate compound from isophthalic acid to guanidine compound was also interpreted using theoretical DFT. The computational evaluation of charge stabilities as a result of charge delocalization was construed with the ratification of natural bonding orbital (NBO). The assessed thermal stability of bisguanidinium isophthalate crystal is 120 °C which was analysed by thermogravimetric and differential thermal analyses. To determine the third-order nonlinear optical property with quantitative results of nonlinear refractive index, nonlinear absorption coefficient and optical susceptibility was ascertained using Z-scan technique. © 2019 Elsevier B.V.

Journal of Molecular Structure

Crystal structure, DFT and third order non-linear optical studies of an organic bisguanidinium isophthalate monohydrate single crystal

We report the growth process and linear and nonlinear optical characterization of high quality improvised semiorganic 2A5NPDP single crystal using the modified SR method for the first time. The major difficulties for the growth of 2A5NPDP single crystal have been resolved with the aid of a temperature lowering method. After optimization of the growth conditions, a transparent 2A5NPDP single crystal was harvested with a size of 85 mm length and 10 mm diameter over a period of 60 days. The growth rate of the modified SR method grown crystal was found to be 10 times higher than that of the conventional slow evaporation solution technique (SEST) grown crystal. The unit cell parameters of the grown crystal were ascertained by the single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) techniques. The high crystalline perfection of the crystal was ascertained by using a high-resolution X-ray diffraction (HRXRD) technique. The presence of multifarious functional groups of the 2A5NPDP crystal were confirmed by Fourier transform infrared (FT-IR) and Fourier transform Raman (FT-Raman) spectral analyses. The thermal property was assessed by the thermogravimetric (TG) and differential thermal analysis (DTA). It shows that the grown crystal withstands temperature up to 175 °C. UV-vis-NIR analysis was used to measure the linear optical property while third-order nonlinear optical properties were ascertained using Z-scan and optical limiting (OL) techniques. The optical limiting threshold of conventional method grown crystal is 5.7 mW/cm2, whereas the modified SR method grown crystal is 4.7 mW/cm2. Low value of limiting threshold indicates that the grown crystal has minimum defects. Finally, 800 nm wavelength of 140 fs at 80 MHz repetition rate obtained from a Ti:sapphire oscillator was used for the terahertz (THz) generation between 0.1 and 2.1 THz range. The efficiency of the generated THz signal was measured using another 800 nm wavelength of 40 fs, at 1 kHz repetition rate obtained from a Ti:sapphire amplifier. The generated THz signal is separated out from unconverted 800 nm using Teflon filters, and power is measured using a pyrometer. The maximum conversion efficiency of generated THz signal is on the order of 0.63 × 10-5%. Copyright © 2019 American Chemical Society.

Crystal Growth & Design

Evaluation of Linear and Nonlinear Optical Properties of D−π–A Type 2-Amino-5-Nitropyridinium Dihydrogen Phosphate (2A5NPDP) Single Crystal Grown by the Modified Sankaranarayanan–Ramasamy (SR) Method for Terahertz Generation

The present report explores third order nonlinear optical behavior of phase pure Yb3+:YAG nanoparticles for the first time by Z-scan technique. The measurement was carried out using diode pumped continuous wave (CW) Nd:YAG laser at 532 nm. The Yb:YAG nanoparticles exhibit characteristic near-infrared (NIR) emission at 1030 nm under 940 nm excitation. The nanoparticles exhibit high nonlinear refractive index (n2 = 8.649 × 10−8 cm2/W) and low nonlinear absorption coefficient (β = 0.109 × 10−4 cm/W) giving an appreciable figure of merit (FOM) of ∼74.50. The excitation power (8.2–10.5 W cm−2) dependent emission spectra were recorded to study exchange energy interaction of Yb3+ ions with YAG host lattice. By utilizing the nonlinear refractive index ‘n2’ from Z-scan measurement, thermo-optic coefficient (dn/dt) was calculated to demonstrate Yb3+:YAG nanomaterial for high power compact solid state laser gain amplifier systems. © 2018 Elsevier Ltd

Optics & Laser Technology

Third order nonlinearity and optical limiting behaviors of Yb:YAG nanoparticles by Z-scan technique

Paracetamol-Picric acid (PP) cocrystals were grown from ethanol by slow evaporation solution growth technique. The compound C14H12N4O9 crystallizes in monoclinic system with centrosymmetric space group P21/c. The band gap energy was estimated by the application of Kubelka–Munk algorithm and the cut-off wavelength is ∼491 nm. The molecule is associated with accommodating weak C[sbnd]H⋯O, O[sbnd]H⋯O, π … π and H⋯H stacking interactions, very much responsible for the formation and strengthening of supramolecular assembly. Inter- and intramolecular hydrogen bonding interactions show supramolecular architecture in the crystal packing. Third-order nonlinear optical properties of the grown crystal were derived by employing a single beam Z-scan technique at a wavelength of 532 nm diode pumped CW Nd:YAG Laser system. Theoretical calculations were performed using density functional theory (DFT) method to derive the optimized geometry, dipole moment, polarizability and hyperpolarizability. Molecular interactions are analyzed and quantified by Hirshfeld surfaces, derived from single crystal XRD data. Fingerprint plots of Hirshfeld surfaces were used to locate and analyze the percentage of hydrogen bonding interactions. The O⋯H/H⋯O interactions mainly contribute to the observed microlevel nonlinearity. © 2019

Cocrystallization of Paracetamol-Picric acid: Hirshfeld surface analysis, supramolecular architecture and third-order nonlinear optical properties

2-aminopyridinium diphenylacetate diphenylaetic acid (2APD), an organic crystal with dimensions 22 × 13 × 11 mm3 was grown by slow cooling technique. The structural aspects of the grown crystal have been confirmed by single crystal X-ray diffraction study. The title compound crystallizes in the monoclinic crystal system with noncentrosymmetric space group P21. The intermolecular hydrogen bonding interactions has been analysed by Hirshfeld surface analysis. Chemosensors for a charge transfer molecule has been reported for the first time in the literature. The cation and anion sensing study revealed that the title material exhibits a colour change in the presence of Cu2+ and Ni2+ while the solution remained colourless in the presence of anions. This further shows that the receptor acts as a luminescence sensor in the presence of Cu2+ and Ni2+ ions. The laser damage threshold of the 2APD sample measured along three different planes was found to be 0.76 GW cm−2, 0.97 GW cm−2 and 0.94 GW cm−2. Z-scan measurements confirmed the third order nonlinear property of the grown 2APD crystal. The optical limiting behaviour of the 2APD crystal is found to saturate with threshold and amplitude of 36 mW/cm2 and 2.24 mW/cm2 respectively. © 2018 Elsevier B.V.

Materials Chemistry and Physics

Structural, multichannel sensing and optical properties of 2-aminopyridinium diphenylacetate diphenylacetic acid crystal

Vicker's and Knoop microhardness studies were carried out on grown calcium hydrogen phosphate dihydrate (CaHPO4·2H2O) crystals over a load range of 10-50 g. The Vickers (HV) and Knoop (H K) microhardness numbers for the above loads were found to be in the range of 94-170 kg/mm2 and 28-35 kg/mm2 respectively. It was also found that these numbers increased with increase in load. The Mayer's index (n) was found to be greater than 1.6 showing soft-material characteristics. The fracture toughness values (Kc), determined from measurements of crack length, were estimated to be 6 ± 0.5 × 103 kg m-3/2 and 4.5 ± 0.5 × 103 kg m-3/2 at 25 g and 50 g respectively. The brittleness indices (Bi) were found as 2.3 ± 0.1 × 104 m -1/2 for 25 g and 3.7 ± 0.1 × 104 m -1/2 for 50 g. Using Wooster's empirical relation, the elastic stiffness coefficient (c11) has been calculated from Vicker's hardness values as 4.8 ± 0.5 × 1015 Pa for 10 g, 9.7 ± 0.5 × 1015 Pa for 25 g and 13.3 ± 0.5 × 1015 Pa for 50 g. The Young's modulus was calculated as 1.5 ± 0.1 × 1010 N m-2 from Knoop microhardness values. © 2010 Elsevier Ltd. All rights reserved.

Materials Research Bulletin

Microhardness studies on calcium hydrogen phosphate (brushite) crystals

Journal of Optics

Investigations on the growth, linear, nonlinear, dielectric tensor and thermal properties of an acidic molecule: diphenylacetic acid single crystal

RSC Advances

Study on nonlinear refractive properties of KDP and DKDP crystals

Optical Materials

Investigations of structural defects, crystalline perfection, metallic impurity concentration and optical quality of flat-top KDP crystal

Chemical Society Reviews

Functional hyperbranched polymers with advanced optical, electrical and magnetic properties

Crystal structure, molecular packing, FMO, NBO, nonlinear optical and optical limiting properties of an organic imidazolium diphenylacetate diphenylacetic acid single crystal

Journal	Data powered by TypesetNew Journal of Chemistry
Publisher	Data powered by TypesetRoyal Society of Chemistry (RSC)
ISSN	1144-0546
Open Access	0