Structure and optical properties of gel grown crystals of diaqua maleatocalcium (II)

Crystals of diaqua maleatocalcium (II) (CaC4H2O4·2H2O) have been grown by the controlled diffusion of ionic species in inert hydrosilica gel. The single crystal X-ray diffraction studies reveal that the crystal belongs to orthorhombic system with non-centrosymmetric space group P212121. The unit cell parameters are a = 6.849(5) Å, b = 8.665(5) Å, c = 11.002(5) Å and α = β = γ = 90.000(5)°. The functional groups present in the compound are identified from the FTIR spectrum. Thermogravimetric studies are performed to explore the thermal stability and decomposition pattern of the material. The UV – vis – NIR studies indicate wide transparency window, a befitting material characteristic for optoelectronic applications. The optical band gap of the material was estimated using diffuse reflectance spectroscopy. The second harmonic generation (SHG) efficiency possessed by the crystal is revealed by the Kurtz and Perry powder test.