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Chem. J. Chinese Universities ›› 1997, Vol. 18 ›› Issue (4): 609.

• Articles • Previous Articles     Next Articles

Theoretical Studies on the Nonlinear Optical Properties of Novel Diacetylene Derivatives with Azobenzene Substituents

REN Ai-Min1, FENG Ji-Kang1, XIAO Chang-Yong2, SUN Chia-Chung2, WANG Jiang-Hong3, YU Cong-Xuan3   

  1. 1. Department of Chemistry, Institute of Theoretical Chemistryt, Jilin University, Changchun, 130023;
    2. Institute of Theoretical Chemistryt, Jilin University, Changchun, 130023;
    3. Institute of Chemical Engineering and Material. Beijing Institute Technology, Beijing, 100081
  • Received:1996-04-15 Online:1997-05-24 Published:1997-05-24

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Abstract: On the basis of AM1 and ZINDOmethods, according to the sum-over-states ex-pression, the nonlinear second-and third-order optical susceptibilities Pijk and Yijkl of noveldiacetylene derivatives with azobenzene substituents have been calculated.Thesystematic theoretical studies have been performed, that is on the basis of(这里有图片19970427-609-2.gif)introducing donor N (CH3 )2 onthe left side and acceptor CH2OHor(这里有图片19970427-609-3.gif) on the right side of above molecule,the rule of variations of β and γ has been examined.The regularity summarized from the cal-culated results has been explained micromechanically.

Key words: Diacetylene derivatives, Nonlinear second-order optical susceptibilities, Nonlinear third-order optical susceptibilities

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