Growth, structural, thermal, and optical characteristics of L-asparagine monohydrate doped magnesium sulphate heptahydrate semiorganic crystals

Heliyon. 2023 Nov 14;9(11):e22322. doi: 10.1016/j.heliyon.2023.e22322. eCollection 2023 Nov.

Abstract

A novel semi-organic crystal has been grown using slow evaporation technique by doping organic compound L-asparagine monohydrate (C4H8N2O3·H2O) with inorganic material Magnesium sulphate heptahydrate (MgSO4·7H2O). The crystallographic parameters like strain, dislocation density and crystallite size were calculated by powder X-ray diffraction method. Functional groups were identified and bond length, force constants were calculated from FT-IR spectroscopy. Energy dispersive X-ray (EDX) analysis was used to identify the constituent elements of the crystal. Kinetic and thermodynamic parameters, such as, activation energy Ea, change in Gibb's free energy (ΔG) and change in enthalpy (ΔH) have been determined by thermogravimetric analysis (TGA) analysis. Ea, ΔH and ΔG show positive values and change in entropy (ΔS) shows negative ones. The thermal degradation behavior of the crystals has been analyzed by differential scanning calorimetry (DSC) analysis. Various optical constants such as optical band gap, lattice dielectric constant, absorbance, extinction coefficient, the ratio of free charge carrier concentration to the effective mass, Urbach energy, optical and electrical conductivities were estimated from UV-vis transmittance data. High optical conductivity (1010 s-1) justifies the good photo response nature of the semi-organic crystal.

Keywords: L-asparagine; MgSO4·7H2O; Optical band gap energy; Structural properties; Thermal characterization; UV–Vis spectroscopy.