Open AccessAnalysis of NMR Spectral Analysis and Molecular Electronic Potential Maps on L-Arginine Phosphate Crystals for Non-Linear Optical Applications
Publication year - 2021
Publication title -
biointerface research in applied chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.216
H-Index - 11
ISSN - 2069-5837
DOI - 10.33263/briac126.83538366
Subject(s) - natural bond orbital , molecule , delocalized electron , aqueous solution , solubility , chemistry , materials science , computational chemistry , chemical physics , crystallography , organic chemistry
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.