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<p>This work explores the influence of solvent environments on the third-order nonlinear optical (TONLO) behavior of Alizarin Red S (ARS dye). The nonlinear refractive index (n₂) and nonlinear absorption coefficient (β) were measured using a continuous-wave (CW) laser at 405&#xa0;nm, employing the closed aperture (CA) and open aperture (OA) Z-scan techniques, respectively. The dye exhibited a self-defocusing, saturable absorption (SA) and reverse saturable absorption (RSA) based optical nonlinearities. Across all solvents tested, the dye showed notable TONLO susceptibility, with DMSO yielding the highest values. The TONLO susceptibility and second-order hyperpolarizability were found to be in the range of 10⁻⁷ esu and 10⁻³¹ esu, respectively, in all solvents. The Kamlet-Abboud-Taft multi-linear regression analysis was employed to evaluate the influence of individual solvent parameters on the behavior of ARS dye. Density Functional Theory (DFT) calculations were performed to optimize the dye’s molecular geometry and determine its linear polarizability (α), first-order hyperpolarizability (β), and second-order hyperpolarizability (γ) in solvents such as ethanol, methanol, acetone, 1-propanol, DMF, and DMSO. The theoretical results aligned well with experimental data, highlighting the dye’s promising potential for NLO applications.</p>

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Solvent effect and nonlinear optical properties of Alizarin red S dye using Z-scan and DFT method

  • 期刊论文

  • 发表日期：

    2026年2月13日

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  • Mohammad Ahmad Wadaan,
  • Nawaf D. Almoutiri,
  • Rohith Ramasamy,
  • Rajadurai Vijay Solomon,
  • Madhappan Santhamoorthy,
  • S. Jeyaram

摘要

This work explores the influence of solvent environments on the third-order nonlinear optical (TONLO) behavior of Alizarin Red S (ARS dye). The nonlinear refractive index (n₂) and nonlinear absorption coefficient (β) were measured using a continuous-wave (CW) laser at 405 nm, employing the closed aperture (CA) and open aperture (OA) Z-scan techniques, respectively. The dye exhibited a self-defocusing, saturable absorption (SA) and reverse saturable absorption (RSA) based optical nonlinearities. Across all solvents tested, the dye showed notable TONLO susceptibility, with DMSO yielding the highest values. The TONLO susceptibility and second-order hyperpolarizability were found to be in the range of 10⁻⁷ esu and 10⁻³¹ esu, respectively, in all solvents. The Kamlet-Abboud-Taft multi-linear regression analysis was employed to evaluate the influence of individual solvent parameters on the behavior of ARS dye. Density Functional Theory (DFT) calculations were performed to optimize the dye’s molecular geometry and determine its linear polarizability (α), first-order hyperpolarizability (β), and second-order hyperpolarizability (γ) in solvents such as ethanol, methanol, acetone, 1-propanol, DMF, and DMSO. The theoretical results aligned well with experimental data, highlighting the dye’s promising potential for NLO applications.