Synthesis and Nonlinear Studies on Selected Organic Compounds in Nanostructured Thin Films

Abstract

Organic compounds based on ferrocene, pyrazolone, and octahydroacridine exhibit high interest due to their unusual structure, with potential practical applications due to their special optical properties. Nonlinear optical (NLO) properties of some new synthesized derivatives are evaluated in relationship with the chemical structure by using DFTmolecular modeling. In condensed state, ferrocene and other organic molecules were found in a staggered arrangement (D5d) as a nonpolar molecule, but the eclipsed (D5h) and twisted (D5) forms exhibit SHG capabilities. The molecular polarizability ( α ), first-order hyperpolarizabilities ( β tot ), dipole ( μ tot ), and quadrupole (Q) moments were computed. The NLO efficiency was assessed by the relationship between high ( β tot ) and low HOMO-LUMO energy gap. The nonlinear optical properties of some new synthesized compounds were evaluated in thin films with nanometric morphology obtained using various methods: Langmuir-Blodgett (LB) films, deposition, and