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The structural and optical investigation of thin films containing aluminum and gallium phthalocyanine chlorides is presented. The films were fabricated by Physical Vapor Deposition technique onto quartz substrates and annealed after fabrication in an ambient atmosphere for 24 h at the temperature equal to 150 °C or 250 °C. The experimental results and theoretical calculation of the Third Harmonic Generation process are reported. The third order nonlinear optical properties are expected and can be more or less accurately predicted due to the assembly of the molecules and theoretical calculations of the frequency-dependent dipole polarizabilities, third hyperpolarizabilities, third order susceptibilities, frontier and second frontier molecular orbitals. These parameters were used to understand the relationship of optical properties with the molecular structures. We found that the annealing process causes formation of nanostructures and the value of the third order optical susceptibility makes these materials interesting for future nonlinear optical applications.

The antioxidant activity of phytochemicals and of the methanolic extract of Lavandula stoechas was evaluated by β-carotene-linoleate bleaching, DPPH radical scavenging, ferric reducing/antioxidant power (FRAP). The obtained results were compared with antioxidant activities of synthetic antioxidants, such as BHT and BHA. The highest antioxidant activity of the extract was observed by DPPH radical scavenging assay, which was 84.45 ± 5.1% at 1 mg ml −1 . Rutin, rosmarinic acid, and caffeic acid were main phenolics in the extract. The total phenolic content of the methanolic extract of Lavandula stoechas was found to be 105.5 ± 2.7 mg gallic acid equivalent (GAE). Electron spin resonance (ESR) measurements were also performed on the samples. Free radicals were determined by ESR method. g value was found to be 2.0034 for the Lavandula stoechas; 2.0052 for quercetin.

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The density functional theory (DFT) at B3LYP/6-31G(d) level has been utilized to achieve the electric dipole moment $\left( \mu \right),$static dipole polarizability $\left( \alpha \right)$and first hyperpolarizability $\left( \beta \right)$values for ferulic acid (1) and chenodeoxycholic acid (2). The time-dependent Hartree-Fock (TDHF) technique as a powerful quantum chemical method has been implemented to reveal the dynamic $\alpha ,\,\beta $and third-order hyperpolarizabilities $\left( \gamma \right)$of the examined compounds. Our computational conclusions have been compared with the results of similar materials in the literature. The first and second frontier molecular orbitals (MOs) and their band gaps have also been investigated by means of DFT.

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