CRCU

Chemical Research in Chinese Universities ›› 2002, Vol. 18 ›› Issue (1): 42-46.

• Articles • Previous Articles     Next Articles

ZINDO-SOS Studies on Second-order Nonlinear Optical Properties of Thiophene S,S-Dioxide Chromophores

LIU Yong-Jun1,2, HU Hai-Quan1, ZHANG Dong-Ju1, LIU Cheng-Bu1   

  1. 1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P. R. China;
    2. Department of Chemistry, Qufu Normal University, Qufu 273165, P. R. China
  • Received:2000-10-17 Online:2002-01-24 Published:2011-08-04
  • Supported by:

    Supported by the National Natural Science Foundation of China(No.29873025).

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Abstract: The second-order nonlinear optical properties of thiophene S,S-dioxides derivatives were studied by using the ZINDO-SOS method. The computed results show that the thiophene S,S-dioxide derivatives exhibit larger second-order polarizabilities than their thiophene precursors. In order to clarify the origin of the different NLO responses among these chromophores, their electron properties and frontier orbital properties were investigated as well. These thiophene S,S-dioxides derivatives are good candidates for their application in electro-optical device due to their high nonlinearities, good thermal and photo stabilities.

Key words: Second-order optical polarizability, Thiophene S,S-dioxides derivatives, ZINDO-SOS