Glycine doped L-Alanine sodium sulphate single crystals for nonlinear optical applications

Palaninathan, Jayanthi; Rathinam, Vadamalar; Baig, Ameer Baig Ali; Ramya, V. Ramya V.; Vignesh, S.; Sundar, Jeyaperumal Kalyana

doi:10.1080/10667857.2020.1859053

Cited by 1 publication

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“…Second-order nonlinear optical materials (NLOs) have been the subject of several studies in recent decades due to their potential technological applications in optical communications, integrated optical systems, and information optical storage [1][2][3]. Currently, organic or inorganic optical crystals are being synthesized with a remarkable crystalline perfection [4]. However, each crystal class has certain advantages and disadvantages.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization, and thermal and computational investigations of the l-histidine bis(fluoride) crystal

et al. 2022

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Nonlinear optical materials have been investigated recently due to their potential technological applications in information storage and communications. In this context, semi-organic crystals can effectively combine the desired nonlinear optical properties of amino acids with the promising mechanical and thermal properties of inorganic materials. In this work, we have synthesized and characterized a semi-organic crystal of the amino acid l-histidine and hydrofluoric acid and investigated the chemical interactions between the organic and inorganic moieties. The crystal of l-histidine bis(fluoride) has been produced by slow solvent evaporation and characterized by X-ray diffraction (XRD) crystallography and thermogravimetric and differential thermal analyses. The XRD conducted using the Rietveld method shows that the unit cell is orthorhombic with the P21212 space group and contains four l-histidine bis(fluoride) units. Both differential thermal analysis and temperature-dependent XRD show that the crystals are thermally stable up to 191°C and do not undergo phase transition. The computational Hirshfeld surface analysis of the crystal structure reveals the main intermolecular interactions. Density functional theory has been employed to calculate the ionic interaction energy and electrostatic potential maps and confirm the spontaneity of ionic association at 191°C. The combined experimental and computational results show that the thermal stability of the semi-organic l-histidine bis(fluoride) crystal makes it suitable for nonlinear optical applications in optical sensing and communication systems. Graphical abstract

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