高等学校化学学报

高等学校化学学报 ›› 2001, Vol. 22 ›› Issue (10): 1728.

• 研究论文 • 上一篇    下一篇

几种芳香类NLO材料中非对位取代基团的作用

赵波1, 周志华1, 谭锡林2   

  1. 1. 南京师范大学化学与环境科学学院, 南京 210097;
    2. 江苏省光电子技术重点实验室, 南京 210097
  • 收稿日期:2000-09-15 出版日期:2001-10-24 发布日期:2001-10-24
  • 通讯作者: 赵　波(1969年出生),男,博士,副教授,从事物理化学方面的研究.E-mail:bzhao@pine.njnu.edu.cn E-mail:bzhao@pine.njnu.edu.cn
  • 基金资助:

    江苏省光电子技术重点实验室开放基金资助

The Roles of the Non-centrosymmetrically Substituted Groups in Several Aromatic NLO Materials

ZHAO Bo1, ZHOU Zhi-Hua1, TAN Xi-Lin2   

  1. 1. College of Chemistry and Environment Science, Nanjing Normal University, Nanjing 210097, China;
    2. Key Laboratory of Jiangsu Province for Optic and Electric Techniques, Nanjing 210097, China
  • Received:2000-09-15 Online:2001-10-24 Published:2001-10-24

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被引次数

4

摘要： 计算了几种芳香烃类二阶非线性光学材料的分子二阶非线性光学系数β值,研究了这些化合物中非对位取代基团CH3,Cl,Br和NHCOCH3等的作用.结果表明,它们对材料的分子内电荷转移和β的影响很小,但是对化合物的晶体结构却有很大影响,它们的非对位取代使分子易形成有利于宏观二阶非线性光学效应的非中心对称的晶体结构.

关键词: 取代基团, 分子二阶非线性光学系数, 晶体结构

Abstract: The molecular second-order nonlinear optical(NLO) polarizabilities β-of several aromatic NLOmaterials were calculated and the roles of the non-centrosymmetrically substituted groups in these compounds were studied. The results showed that the strong donor-acceptor(such as nitro and amino group etc.) para-disubstituted compounds usually crystallized in a centrosymmetric crystal structure and therefore had no SHG(second harmonic generation) effect. However, they would show very strong SHGeffect when the groups CH3, Cl, Br or NHCOCH3 were non-centrosymmetrically attached to these molecules. The intromolecular charge transfer and the molecular polarizabilities were hardly dependent on these substituents. But they played an important role in forming the non-centrosymmetric crystal structures and therefore the second harmonic generation response. So such non-centrosymmetrically substituted groups were important in designing effective organic second-order NLOmaterials.

Key words: Substituent, Molecular secondorder nonlinear optical polarizability, Crystal structure

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