Analysis of NMR Spectral Analysis and Molecular Electronic Potential Maps on L-Arginine Phosphate Crystals for Non-Linear Optical Applications

Abstract

L-Arginine Phosphate (LAP) is a possible material for applications involving nonlinear optical properties. Slow evaporation was used to generate single LAP crystals with a very high degree of transparency from an aqueous solution. The solubility of the pure and doped LAP crystals was measured at different temperatures in the double-distilled water. Natural bond orbital (NBO) research investigated the molecule's stability and charge delocalization. The HOMO-LUMO energies describe the charge transfer between molecules. The electrostatic potential of molecules has been investigated. The correlation found between crystalline perfection and SHG potency was mentioned.