Kalainathan S

Department of Physics

School of Advanced Sciences

Vellore Campus

Jauhar R.M

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

Journal of Crystal Growth

Optical Materials

Optimization of growth parameters and investigations on the physico-chemical properties of an organometallic guanidinium chromate single crystal for nonlinear optical and optical limiting applications

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

The title material was grown by slow evaporation solution growth technique using methanol as solvent. Single crystal X-ray diffraction study revealed that the material belongs to triclinic crystal system with space group P1¯. Powder XRD measurements was explored to identify strain present in the grown crystal. The presence of functional groups was identified from FTIR spectral analysis. From the UV–vis-NIR spectral study, refractive index and extinction coefficient were determined. The theoretical band gap values found from density functional theory shows discrepancy with that of the experimental value. The close contact interactions are identified from Hirshfeld surface analysis. Moreover, solid-state parameters were evaluated for the grown crystal. The dielectric constant and dielectric loss of the crystal were measured as a function of frequency and temperature. The luminescent property of title crystal was investigated and the results are discussed. © 2019 The Physical Society of the Republic of China (Taiwan)

Chinese Journal of Physics

Synthesis, structural, frontier molecular orbitals, Hirshfeld analysis and luminescence properties of an organic 2-amino-4, 6-dimethoxypyrimidine 4-methylbenzenesulfonic acid monohydrate single crystal

DAE SOLID STATE PHYSICS SYMPOSIUM 2018

Electronic, nonlinear optical and optical limiting properties of 2-amino-3-propanoic 4-methylbenzenesulfonate (2A3PMS) single crystal

An organic nonlinear optical material, guanidinium tosylate was synthesized adopting slow evaporation method and the crystals were harvested from aqueous methanolic medium with dimensions 13 × 9 × 3 mm3. Constitution of crystalline material was confirmed by single crystal X-ray diffraction study. The title compound crystallizes in the monoclinic crystal system with space group P21/c. The UV–vis–NIR spectral study of the grown crystal exhibits high transparency of 80% in the entire visible region with lower cut-off wavelength at 282 nm. Optimized molecular geometry of the grown crystal was obtained using density functional theory (DFT) and the frontier energy gaps calculated from the DFT aids to understand the charge transfer taking place in the molecule. The dielectric properties were studied as a function of temperature and frequency to find the charge distribution within the crystal. The titular compound is thermally stable up to 230 °C assessed by thermogravimetric and differential thermal analysis. Anisotropy in the mechanical behavior was observed while measuring for individual planes. The laser induced surface damage threshold of the grown crystal was measured to be 0.344 GW/cm2 for 1064 nm Nd:YAG laser radiation. Z-scan technique confirms the third-order nonlinear optical property with the ascertained nonlinear refractive index (n2), nonlinear absorption coefficient (β) and third order nonlinear susceptibility (χ(3)). Optical limiting study divulges that the transmitted output power step-up linearly with the increase of the input power at lower power realms and saturates from the threshold 24.95 mW/cm2 and amplitude 0.23 mW/cm2. © 2017 Elsevier Ltd

Optics & Laser Technology

Synthesis, growth, structural modeling and physio-chemical properties of a charge transfer molecule: Guanidinium tosylate

Applied Physics A

Nonlinear optical and laser damage threshold studies of an ammonium p-toluenesulfonate crystal

Crystal growth, structural, thermal, optical and laser damage threshold studies of 8-hydroxyquinolinium hydrogen maleate single crystals

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Growth and characterization of 2-amino-4-picolinium toluene sulfonate single crystal

Materials Chemistry and Physics

Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

ChemInform

ChemInform Abstract: The Guanidinium Group in Molecular Recognition: Design and Synthetic Approaches.

Three dimensional organic framework of 2-amino 4, 6 dimethoxypyrimidine p-toluenesulfonic acid monohydrate: synthesis, single crystal growth and its properties

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