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Development of organic crystalline nature guanidinium nitrate (GuN): structural, frontier molecular orbital, optical, thermal, mechanical, theoretical and experimental SHG and Z-scan properties for NLO device uses

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Abstract

A transparent organic crystalline material guanidinium nitrate (GuN) was fruitfully harvested. Structure of GuN was verified by SXRD and its monoclinic system with Cm space group. Optical nature of GuN was confirmed by T%, n, ∆n and optical limiting. Strength nature of the GuN was tested by optical and mechanical hardness. The energy gap, global reactivity descriptors, linear and non-linear optical parameters were calculated at B3LYP/6-31G (d,p) level. Second- and third-order effective non-linearity was deliberated experimentally.

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Authors and Affiliations

  1. Department of Physics, Sri Sankara Arts & Science College (Autonomous), Enathur, Kanchipuram, Tamilnadu, 631 561, India

    P. Vivek & R. Arunkumar

  2. Department of Physics, Rajalakshmi Engineering College (Autonomous), Thandalam, Chennai, Tamilnadu, 602 105, India

    G. Saravana Kumar

  3. Department of Physics, KPR Institute of Engineering and Technology (Autonomous), Coimbatore, Tamilnadu, 641407, India

    Ananth Steephen

  4. SSN Research Centre, SSN College of Engineering, Kalavakkam, Chennai, Tamilnadu, 603 110, India

    RO. MU. Jauhar

  5. Department of Physics, Anna Adarsh College for Women, Chennai, Tamilnadu, 600040, India

    A. Suvitha

  6. School of Electrical Engineering, Department of Energy and Power Electronics, Vellore Institute of Technology, Vellore, Tamilnadu, 632 014, India

    M. Rekha & M. Kowsalya

  7. Department of Instrumentation and Control Engineering (Autonomous), Sri Manakula Vinayagar Engineering College, Puducherry, 605 107, India

    M. Rekha

  8. Department of Physics, SRM Institute of Science and Technology, Ramapuram campus, Bharathi salai, Ramapuram, Chennai, Tamilnadu, 600089, India

    N. Karunagaran

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Vivek, P., Kumar, G.S., Steephen, A. et al. Development of organic crystalline nature guanidinium nitrate (GuN): structural, frontier molecular orbital, optical, thermal, mechanical, theoretical and experimental SHG and Z-scan properties for NLO device uses. J Mater Sci: Mater Electron 32, 4493–4504 (2021). https://doi.org/10.1007/s10854-020-05190-w

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