Synthesis, crystallization, spectroscopic analysis, NLO, HOMO-LUMO, and LDT of a single crystal of thiourea manganese (II) sulfate.

Thiourea manganese (II) sulfate (TM2S) is a nonlinear optical single crystal that has been successfully grown using a solvent evaporation technique. X-ray diffraction analysis of a single crystal confirms that TM2S formed in the orthorhombic system with the non-Centro symmetric Pnma space group. FTIR spectroscopy analysis revealed the presence of several functional groups in TM2S. The crystal optical characteristics were verified by measuring its UV-visible spectrum. The melting point was determined by differential scanning calorimetry, and the thermal sensitivity of the formed crystal was determined by thermo gravimetric analysis. At various temperatures, the dielectric property of the grown crystal was studied. Using the Kurtz-powder approach, the second harmonic generation in TM2S has been explored. Quantum chemical estimations, such as HOMO-LUMO, were calculated and reported. In order to quantify the surface laser damage of the crystal, a laser with multiple shots was used. [ABSTRACT FROM AUTHOR]