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A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses

Received: 16 February 2014     Published: 20 March 2014
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Abstract

In this paper, the diallyl (oxybis(ethane-2,1-diyl)) dicarbonate (CR-39 monomer) of molecular structure that is a plastic polymer commonly used in the manufacture of eyeglass lenses, has been examined theoretically. The molecular structure of CR-39 monomer was optimized by Density Functional Theory (DFT) using B3LYP method with STO-3G basis set without specifying any symmetry for the title molecule. The non-linear optical properties were calculated at the same level and the title compound showed a good second order non-linear optical property. Besides, the frontier molecular orbital (HOMO and LUMO) energies and related molecular properties of CR – 39 monomer were investigated by theoretical calculation results.

Published in American Journal of Optics and Photonics (Volume 2, Issue 1)
DOI 10.11648/j.ajop.20140201.12
Page(s) 7-11
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2014. Published by Science Publishing Group

Keywords

CR-39 Monomer, Eyeglass Lenses, Density Functional Theory (DFT), Non-Linear Optical Effects

References
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    Fatih Şen, Burhanettin Göker Durdu, Murat Oduncuoğlu, Kürşat Efil, Muharrem Dinçer. (2014). A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses. American Journal of Optics and Photonics, 2(1), 7-11. https://doi.org/10.11648/j.ajop.20140201.12

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    ACS Style

    Fatih Şen; Burhanettin Göker Durdu; Murat Oduncuoğlu; Kürşat Efil; Muharrem Dinçer. A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses. Am. J. Opt. Photonics 2014, 2(1), 7-11. doi: 10.11648/j.ajop.20140201.12

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    AMA Style

    Fatih Şen, Burhanettin Göker Durdu, Murat Oduncuoğlu, Kürşat Efil, Muharrem Dinçer. A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses. Am J Opt Photonics. 2014;2(1):7-11. doi: 10.11648/j.ajop.20140201.12

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  • @article{10.11648/j.ajop.20140201.12,
      author = {Fatih Şen and Burhanettin Göker Durdu and Murat Oduncuoğlu and Kürşat Efil and Muharrem Dinçer},
      title = {A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses},
      journal = {American Journal of Optics and Photonics},
      volume = {2},
      number = {1},
      pages = {7-11},
      doi = {10.11648/j.ajop.20140201.12},
      url = {https://doi.org/10.11648/j.ajop.20140201.12},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajop.20140201.12},
      abstract = {In this paper, the diallyl (oxybis(ethane-2,1-diyl)) dicarbonate (CR-39 monomer) of molecular structure that is a plastic polymer commonly used in the manufacture of eyeglass lenses, has been examined theoretically. The molecular structure of CR-39 monomer was optimized by Density Functional Theory (DFT) using B3LYP method with STO-3G basis set without specifying any symmetry for the title molecule. The non-linear optical properties were calculated at the same level and the title compound showed a good second order non-linear optical property. Besides, the frontier molecular orbital (HOMO and LUMO) energies and related molecular properties of CR – 39 monomer were investigated by theoretical calculation results.},
     year = {2014}
    }
    

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    T1  - A Theoretical Investigation by DFT Method on CR – 39 Monomer that is a Plastic Polymer Commonly Used in the Manufacture of Eyeglass Lenses
    AU  - Fatih Şen
    AU  - Burhanettin Göker Durdu
    AU  - Murat Oduncuoğlu
    AU  - Kürşat Efil
    AU  - Muharrem Dinçer
    Y1  - 2014/03/20
    PY  - 2014
    N1  - https://doi.org/10.11648/j.ajop.20140201.12
    DO  - 10.11648/j.ajop.20140201.12
    T2  - American Journal of Optics and Photonics
    JF  - American Journal of Optics and Photonics
    JO  - American Journal of Optics and Photonics
    SP  - 7
    EP  - 11
    PB  - Science Publishing Group
    SN  - 2330-8494
    UR  - https://doi.org/10.11648/j.ajop.20140201.12
    AB  - In this paper, the diallyl (oxybis(ethane-2,1-diyl)) dicarbonate (CR-39 monomer) of molecular structure that is a plastic polymer commonly used in the manufacture of eyeglass lenses, has been examined theoretically. The molecular structure of CR-39 monomer was optimized by Density Functional Theory (DFT) using B3LYP method with STO-3G basis set without specifying any symmetry for the title molecule. The non-linear optical properties were calculated at the same level and the title compound showed a good second order non-linear optical property. Besides, the frontier molecular orbital (HOMO and LUMO) energies and related molecular properties of CR – 39 monomer were investigated by theoretical calculation results.
    VL  - 2
    IS  - 1
    ER  - 

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