Electronic Structures and Nonlinear Optical Properties for Cross-Conjugated Polyene

Abstract

For several cross-conjugated molecules, molecular excited states and third-order nonlinear susceptibilities γ are calculated by semi-empirical molecular orbital method. The calculated γ are compared with each other and the reason for the differences are discussed in terms of the orbital shapes which contribute mainly to γ. The reason that long polyene chains have large γ, is ascribed to the large transition moment which is explained by the signs of the LCAO coefficients. On the other hand, it is found that the cross-conjugated molecules in which two similar-length chain cross at the center is not good for large third-order susceptibility.

This is a preview of subscription content, access via your institution.

References

  1. 1.

    Κ. C. Rustagi, and Ducuing, Opt. Comm. 10, 258 (1974).

    CAS  Article  Google Scholar 

  2. 2.

    G. P. Agrawal, and C. Flytzanis, Chem. Phys. Lett. 44, 366 (1976); G. P. Agrawal, C. Cojan, and C. Flytzanis, Phys. Rev. Β 17, 776 (1978).

    CAS  Article  Google Scholar 

  3. 3.

    C. P. DeMelo, and R. Silbey, Chem. Phys. Lett. 140, 537 (1987).

    CAS  Article  Google Scholar 

  4. 4.

    G. J. B. Hurst, M. Dupuis, E. Clementi, and E. Clementi, J. Chem. Phys. 89, 385 (1988).

    Article  Google Scholar 

  5. 5.

    A. F. Garito, J. R. Heflin, K. Y. Wong, and O. Zamani-Khamiri, Mat. Res. Soc. Simp. Proc. 109, 91 (1988).

    CAS  Article  Google Scholar 

  6. 6.

    Yamaguchi, Nakano, Okumura, and Fueno, Abstracts of Third Polymer Electronics Symposium Japan.

  7. 7.

    B. A. Pierce, Mat. Res. Soc. Simp. Proc. 109, 109 (1988).

    CAS  Article  Google Scholar 

  8. 8.

    S. R. Flom, G. C. Walker, L. E. Lynch, L. L. Miller, and P. F. Barbara, Chem. Phys. Lett. 154, 193 (1989).

    CAS  Article  Google Scholar 

  9. 9.

    R. Loudon, in The Quantum Theory of Light, edited by Clareneden (Ox-ford, 1983), p. 318.

  10. 10.

    J. A. Armstrong, N. Bloembergen, J. Ducuing, and P. S. Pershan, Phys. Rev. 127, 1918 (1962).

    CAS  Article  Google Scholar 

  11. 11.

    J. F. Ward, and D. S. Elliot, J. Chem. Phys. 69, 5438 (1978).

    CAS  Article  Google Scholar 

Download references

Author information

Affiliations

Authors

Corresponding author

Correspondence to Yuhei Mori.

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Mori, Y., Okano, Y. Electronic Structures and Nonlinear Optical Properties for Cross-Conjugated Polyene. MRS Online Proceedings Library 173, 665–670 (1989). https://doi.org/10.1557/PROC-173-665

Download citation