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Growth and characterization of organic 4-methyl-2-nitroaniline single crystals for nonlinear optical applications

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Abstract

The organic material 4-methyl-2-nitroaniline was successfully grown as a single crystal by the slow evaporation solution growth technique. The single crystal XRD study shows that the grown 4-methyl-2-nitroaniline belongs to the centrosymmetric space group C2/c with a monoclinic crystal system and the obtained lattice parameters are a = 13.11 Å, b = 8.97 Å, c = 12.21 Å, α = 90°, β = 103.86°, γ = 90° and volume = 1395 Å3. The powder XRD diffraction peaks were indexed. The presence of various functional groups in the grown crystal has been confirmed by FTIR and FT-Raman spectral analyses. The optical properties of the grown 4-methyl-2-nitroaniline crystal were investigated using UV–Vis–NIR studies. The optical parameters such as optical band gap (2.31 eV), Urbach energy (0.051 eV), steepness parameter (3.799 × 1016) and electron–phonon interaction (1.754 × 10–17) were calculated. TG–DTA analyses show the melting and decomposition points of 4-methyl-2-nitroaniline single crystal as 118 °C and 228 °C, respectively. The kinetic parameters such as activation energy, frequency factor, entropy, enthalpy, and Gibbs free energy were calculated using Coats–Redfern and Horowitz–Mertzger methods. The dielectric constant and dielectric loss decrease while the AC conductivity increases with increasing frequency, which shows that the grown 4-methyl-2-nitroaniline crystal has normal dielectric behavior. The grown crystal electrical properties such as Penn gap (5.62 eV) and Fermi energy (13.72 eV) have been calculated. The Z-scan studies are used to analyze the third-order nonlinear optical (NLO) properties. The result shows that the grown 4-methyl-2-nitroaniline single crystal may be used for optical switching applications.

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All data generated or analyzed during this study are included in this manuscript.

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Acknowledgements

This work was supported by the University Grants Commission (UGC), South Eastern Regional Office (SERO), Government of India, under the grant of Minor Research Project UGC Reference No: F. MRP-7005/16 (SERO/UGC) Link No: 7005, is hereby gratefully acknowledged.

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Authors and Affiliations

  1. Physics Research Centre, S.T. Hindu College, Nagercoil, 629002, India

    S. Prince

  2. Department of Physics, Lekshmipuram College of Arts and Science, Neyyoor, 629802, Tamil Nadu, India

    T. Suthan

  3. Department of Physics, S.T. Hindu College, Nagercoil, 629002, India

    C. Gnanasambandam

  4. Affiliated to Manonmaniam Sundaranar University, Abishekapatti, Tirunelveli, 627012, India

    S. Prince, T. Suthan & C. Gnanasambandam

  5. Centre for Radiation Environmental Science and Technology, Shiv Nadar University, Chennai, 603110, India

    N. P. Rajesh

  6. Division of Physics, VIT, Chennai, 600175, India

    G. Vinitha

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All authors contributed to the study conception and design. Material preparation, data collection, and analysis were performed by all authors. All authors read and approved the final manuscript.

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Correspondence to T. Suthan.

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Prince, S., Suthan, T., Gnanasambandam, C. et al. Growth and characterization of organic 4-methyl-2-nitroaniline single crystals for nonlinear optical applications. J Mater Sci: Mater Electron 33, 5909–5923 (2022). https://doi.org/10.1007/s10854-022-07772-2

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