Acta Phys. -Chim. Sin. ›› 2005, Vol. 21 ›› Issue (07): 711-715.doi: 10.3866/PKU.WHXB20050703

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Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It′s Grafted Ramification

ZHANG Zhen-jiang; LU Jian-mei; ZHOU Wei-qun; QI Xiu-xiu   

  1. Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006； Jiangsu Industry College, Changzhou 213016
  • Received:2004-11-05 Revised:2004-12-27 Published:2005-07-15
  • Contact: LU Jian-mei E-mail:lujm@suda.edu.cn

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Abstract: Polycondensate of benzoguanamine(BGA) and pyromellitic dianhydride(PMDA) as well as p-π conjugate polycondensates with differ side chains were designed and synthesized on the basis of quantum chemical PM3/CIS(configuration interaction singles) method, using the sum-over-states(SOS) expression, the geometries of the polyamic acids with different side chains and their monomer are optimized, and their third-order nonlinear optical susceptibilities (γ) have been calculated. The effects of the different side chains on the third-order nonlinear optical property have been studied. These results give inspiration for synthesizing the third-order nonlinear optical material with good machining performance.

Key words: Third-order nonlinear optical property, Polyamic acid, Quantum chemistry calculation, CIS method