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Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules

Publication ,  Journal Article
Beratan, DN; Lee, MA; Allender, DW; Risser, S
Published in: Proceedings of SPIE - The International Society for Optical Engineering
July 25, 1989

Tight-binding (molecular orbital) models of conjugated organic molecules were used to predict structure-activity correlations for molecules with large electronic hyperpolarizabilities [1]. The dependence of the nonresonant second hyperpolarizability on chain length and molecular substituents was investigated. The calculations point out the influence of bond alternation and the presence of substitutional (and conjugation) “defects” on the size, sign, and chain length dependence of the molecular (and the bulk) hyperpolarizability. It is hoped that the calculations will provide guidance for future chemical synthesis by presenting strategies for systematically tuning the size and sign of the hyperpolarizability. © 1989 SPIE.

Duke Scholars

Published In

Proceedings of SPIE - The International Society for Optical Engineering

DOI

EISSN

1996-756X

ISSN

0277-786X

Publication Date

July 25, 1989

Volume

1080

Start / End Page

101 / 107

Related Subject Headings

  • 5102 Atomic, molecular and optical physics
  • 4009 Electronics, sensors and digital hardware
  • 4006 Communications engineering
 

Citation

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ICMJE
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Beratan, D. N., Lee, M. A., Allender, D. W., & Risser, S. (1989). Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules. Proceedings of SPIE - The International Society for Optical Engineering, 1080, 101–107. https://doi.org/10.1117/12.976406
Beratan, D. N., M. A. Lee, D. W. Allender, and S. Risser. “Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules.” Proceedings of SPIE - The International Society for Optical Engineering 1080 (July 25, 1989): 101–7. https://doi.org/10.1117/12.976406.
Beratan DN, Lee MA, Allender DW, Risser S. Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules. Proceedings of SPIE - The International Society for Optical Engineering. 1989 Jul 25;1080:101–7.
Beratan, D. N., et al. “Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules.” Proceedings of SPIE - The International Society for Optical Engineering, vol. 1080, July 1989, pp. 101–07. Scopus, doi:10.1117/12.976406.
Beratan DN, Lee MA, Allender DW, Risser S. Structural dependence of the pi-electron contributions to the optical second hyperpolarizability of linear conjugated organic molecules. Proceedings of SPIE - The International Society for Optical Engineering. 1989 Jul 25;1080:101–107.

Published In

Proceedings of SPIE - The International Society for Optical Engineering

DOI

EISSN

1996-756X

ISSN

0277-786X

Publication Date

July 25, 1989

Volume

1080

Start / End Page

101 / 107

Related Subject Headings

  • 5102 Atomic, molecular and optical physics
  • 4009 Electronics, sensors and digital hardware
  • 4006 Communications engineering