Spectroscopic and structural characterizations of a new nonlinear optical cocrystal L-serine-succinic acid (2/1)

Single crystals of a novel amino-acid-based nonlinear optical material, cocrystal l -serine-succinic acid (2/1) (LSS), were grown by the slow evaporation technique using equimolar l -serine and succinic acid in an aqueous solution. Single-crystal X-ray diffraction reveals that LSS crystallizes in a non-centrosymmetric orthorhombic structure with space group C222₁. The crystal structure is stabilized by an extensive three-dimensional hydrogen-bonding network, characterized by well-defined bond lengths and angles. Powder X-ray diffraction confirms good crystallinity. FTIR and Raman analyses identify the presence of functional groups in LSS. Optical studies show a wide transparency window with a UV cutoff at 230 nm and an optical band gap of 5.39 eV. Thermal analysis indicates stability up to 180 °C. The second harmonic generation efficiency of LSS is 1.5 times higher than that of KDP, demonstrating its potential for NLO applications. • New l -serine succinic acid (2/1) cocrystals were grown by the slow evaporation method. • Single-crystal XRD reveals a non-centrosymmetric orthorhombic structure C222₁. • Structure is stabilized by 3D hydrogen bonding to achieve superintra molecular packing. • The crystal shows high optical transparency with a cutoff wavelength at 230 nm and 5.39 eV band gap. • Good thermal stability is observed up to 180 °C without solvent inclusion. • SHG efficiency is 1.5 times higher than that of KDP.