Explication of structural, optical, nonlinear, morphological and antimicrobial efficacy of glycine doped copper sulphate single crystals for optical and biomedical applications

Dexterous semi-organic Glycine doped Copper Sulphate (GDCS) single crystal was produced by slow evaporation solution growth method. Single crystal X-ray diffraction studies were used to authorize the crystal structure. It shows that the grown GDCS crystal belongs to the space group P1 with a triclinic crystal system and the found lattice parameters are a = 5.9758(14) Å, b = 6.1295(15) Å, c = 10.751(3) Å, α = 77.446(8) °, β = 82.358(8) °, γ = 72.691(7) °, volume = 365.99(15) ų. The interaction of characteristic functional groups was approved by FTIR and FT-Raman spectra. The optical properties were studied by UV–Vis-NIR and fluorescence analyses. The optical parameters such as optical band gap (4.33 eV), Urbach energy (4.971414 eV), steepness parameter. (4.7321 × 10^–3) and electron–phonon interaction (1.4088178 × 10²) were calculated. The observation of maximum intensity peak for the GDCS crystal at 545 nm pointed out green fluorescence emission. The third-order nonlinear optical properties of the synthesized crystal were analysed using the Z-scan technique. The third-order nonlinear optical parameters of GDCS single crystal such as absorption coefficient, nonlinear refractive index, third-order nonlinear optical susceptibility and second-order molecular hyperpolarizability have been computed. The result shows that the grown GDCS single crystal may be used for applications of holographic recording and two-wave mixing. The thermal lenience and decomposition mechanism of the grown compound was examined by simultaneous TG–DTA analysis. The kinetic parameters such as activation energy, frequency factor, entropy, enthalpy and Gibbs free energy were calculated using Coats–Redfern method. The dielectric characteristics of the synthesized crystal was studied by dielectric analysis. The dielectric parameters of the grown crystal such as plasma energy (18.656 eV), Penn gap (4.2042 eV), Fermi energy (14.5865 eV) and electronic polarizability have been calculated. The crystalline morphology was inspected by SEM analysis. It was noted from the SEM images that the surface of the produced crystal is smooth and contains of uniformly dispersed clusters. Its elemental composition was confirmed by EDAX analysis. In the EDAX spectrum, the occurrence of Cu, S and O intense peaks confirm the presence of copper, sulphur and oxygen in the grown GDCS single crystal respectively. The antibacterial activity of GDCS crystal against strains Pseudomonas aeruginosa, Serratia marcens and Staphylococcus aureus have been analysed. The antifungal activity of the sample against strains Candida albicans, Aspergillus niger and Aspergillus flaves were tested.