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Synthesis, crystallization, spectroscopic analysis, NLO, HOMO-LUMO, and LDT of a single crystal of thiourea manganese (II) sulfate

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Abstract

Thiourea manganese (II) sulfate (TM2S) is a nonlinear optical single crystal that has been successfully grown using a solvent evaporation technique. X-ray diffraction analysis of a single crystal confirms that TM2S formed in the orthorhombic system with the non-Centro symmetric Pnma space group. FTIR spectroscopy analysis revealed the presence of several functional groups in TM2S. The crystal optical characteristics were verified by measuring its UV-visible spectrum. The melting point was determined by differential scanning calorimetry, and the thermal sensitivity of the formed crystal was determined by thermo gravimetric analysis. At various temperatures, the dielectric property of the grown crystal was studied. Using the Kurtz-powder approach, the second harmonic generation in TM2S has been explored. Quantum chemical estimations, such as HOMO-LUMO, were calculated and reported. In order to quantify the surface laser damage of the crystal, a laser with multiple shots was used.

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Acknowledgments

For XRD investigations, the authors sincerely acknowledge SAIF IIT, Madras. In addition, the Department of Physics at BS Abdur Rahman University (BSAU), Chennai, is appreciated for providing the SHG facility and LDT analysis measuring equipment.

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Authors and Affiliations

  1. Department of Physics, Ramakrishna Mission Vivekananda College (Affiliated to University of Madras), Mylapore, Chennai, Tamilnadu, 600004, India

    P. Shenbagarajan & S. Krishnan

  2. Department of Physics, St. Joseph’s Institute of Technology, OMR, Chennai, Tamilnadu, 600119, India

    P. Shenbagarajan & P. Jayaprakash

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  1. P. Shenbagarajan
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  3. S. Krishnan
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This paper was prepared by the author’s contributions. The first author (PS) prepared the compound and drafted the work. The second author (PJ) reviewed the paper. The third author (SK) did the experimental part and revised the paper for publication.

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Correspondence to P. Shenbagarajan.

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Sub: Submission of Competing Interests of the paper- reg. The paper entitled “Synthesis, crystallization, spectroscopic analysis, NLO, HOMO-LUMO and LDT of a single crystal of thiourea manganese (II) sulphate for use in optoelectronic devices” is submitted for your kind considerations. This paper does not have any competing interests.

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The paper entitled “Synthesis, crystallization, spectroscopic analysis, NLO, HOMO-LUMO and LDT of a single crystal of thiourea manganese (II) sulphate for use in optoelectronic devices” is submitted for the consideration of publication. This paper does not have any ethical statement, and this work does not involve any conflict of interest.

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Shenbagarajan, P., Jayaprakash, P. & Krishnan, S. Synthesis, crystallization, spectroscopic analysis, NLO, HOMO-LUMO, and LDT of a single crystal of thiourea manganese (II) sulfate. J Mater Sci: Mater Electron 34, 203 (2023). https://doi.org/10.1007/s10854-022-09598-4

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