Abstract

The growth and optimization of phenylalanine complex with an inorganic material is discussed in this current work. Slow evaporation method (SEST) was adopted for growing the prescribed complex at low temperatures. Synthesis of crystals with significant technological value frequently uses crystal growth at low temperatures. The structural parameters determined using diffraction technique revealed the orthorhombic crystal system of the title material. The grown crystal has 69 % transmittance along with a bandgap of 3.2 eV. Hardness measurements reveal the nature of the crystal and further fracture mechanics were also determined. The thermal stability of the grown crystal is 280°C as assessed by thermal analysis. A facile 1 on 1 approach is carried out to find the resistance of the crystal when exposed to laser. The low surface to volume ratio for the bulk micro meter sized material enhanced the SHG activity of the grown crystal as assessed from particle size SHG. Further third order nonlinearity reveals the saturable absorption process paving way for the crystal to behave as an optical limiter. To add up a synergistic strategy involving quantum chemical descriptors, topological descriptors, and spectroscopic properties to construct predictive models relating structural properties to empirical optical limiting properties was carried out using a novel machine learning approach. © 2025 Elsevier B.V.