Synthesis, Growth, Structural and Physicochemical Properties of a Novel Linear and Nonlinear UV-Optical Single-Crystal for Photonic Applications: [Ba(C14H20O5)2•Co(SCN)4]

The hybrid nonlinear optical crystal of barium (II)-dibenzo-15-crown-5-ether-cobalt (II)-tetra-thiocyanate (BDBCCTC) single crystal with a dimension of 15 x 5 x 3 mm(3) was grown by the slow evaporation solution growth technique. The title compound of BDBCCTC belongs to a monoclinic system with a space group of P2(1/n). The calculated lattice parameters are a = 12.05 (19) angstrom, b = 20.20 (3) angstrom, c = 17.36 (3) angstrom, alpha = gamma = 90, beta = 101, Z = 4 and volume V = 4150 angstrom(3) which are calculated by single-crystal X-ray diffraction and further confirmed by powder X-ray diffraction analysis. The surface morphology and presence of the elements have been identified by FE-SEM and EDAX studies. Additionally, the reverse growth rate of the grown single-crystal was absorbed by etch pits patterns. The C-N stretching vibration modes and other functional groups were identified by FT-IR which are further verified by micro-Raman spectral analysis. The optical bandgap was found to be 3.24 eV by Tauc's relation. Furthermore, the estimation of solid-state parameters, such as valence electron (E-v = 283), plasma energy (h omega(p) = 19.384 eV), Penn gap energy (E-p = 1.823 eV) and Fermi energy (E-f = 15.199 eV), have been calculated by standard empirical relation. The thermal stability of the grown BDBCCTC was found to be 352 degrees C. Moreover, Vickers's hardness measurement reveals that the grown BDBCCTC compound can be categorized into hard material with n = 0.825. The third-order nonlinear optical properties, such as nonlinear refractive index (n(2) = 22.64 x 10(-8) cm(2) W-1), nonlinear absorption coefficient, and third-order nonlinear susceptibility (chi((3)) = 25.80 x 10(-6) W-1), were also determined grown BDBCCTC single crystal exhibits high thermal stability, and moderate by linear transmittance which turn into be a potential candidate for NLO applications such as short pulse generators, pulse shaping, power spreading, and optical limiter. (C) 2021 The Electrochemical Society ("ECS"). Published on behalf of ECS by IOP Publishing Limited.