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Selected Organometallic Compounds for Third Order Nonlinear Optical Application.

Anna Popczyk1,2, Aouatif Aamoum3,4, Anna Migalska-Zalas5

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Summary

This study investigates the third harmonic generation in organometallic compounds like Znq₂, Cuq₂, and Alq₃. Copper(II) 8-hydroxyquinoline (Cuq₂) demonstrated superior nonlinear optical properties compared to methylene blue.

Keywords:
DFT/B3LYP/6-31G(d) calculationscoordination complexesnonlinear optic (NLO)organometallic compoundsphysical vapor deposition (PVD)third harmonic generation (THG)

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Area of Science:

  • Materials Science
  • Optics and Photonics
  • Computational Chemistry

Background:

  • Organometallic compounds like Znq₂, Cuq₂, and Alq₃ are explored for nonlinear optical applications.
  • Understanding their third harmonic generation (THG) is crucial for optical material development.

Purpose of the Study:

  • To investigate and compare the THG response of Bis-(8-hydroxyquinolinato)zinc (Znq₂), 8-Hydroxyquinoline copper(II) (Cuq₂), and Tris-(8-hydroxyquinoline)aluminum (Alq₃).
  • To determine the third order nonlinear susceptibility (χ(3)) and hyperpolarizability (γ) of these compounds.
  • To correlate structural variations with nonlinear optical properties.

Main Methods:

  • Thin films of Znq₂, Cuq₂, and Alq₃ were prepared using physical vapor deposition (PVD).
  • Maker fringes technique was employed to measure THG for s and p polarizations.
  • Kubodera and Kobayashi comparative model was used to estimate χ(3).
  • Density functional theory (DFT) calculations using B3LYP/6-31G(d) were performed to compute optical properties.

Main Results:

  • Cuq₂ exhibited a significantly higher computed total hyperpolarizability (γtot = 8765.36 × 10⁻³⁶ esu) compared to methylene blue.
  • The coordination center and ligand structure influenced the nonlinear optical response of the investigated complexes.
  • Experimental and theoretical results showed good agreement.

Conclusions:

  • Cuq₂ and related organometallic complexes are promising materials for nonlinear optics.
  • DFT calculations provide accurate predictions of optical properties for these materials.
  • Structural modifications offer a pathway to tune nonlinear optical responses.