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Citation: ZHANG Zhen-jiang, LU Jian-mei, ZHOU Wei-qun, QI Xiu-xiu. Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It′s Grafted Ramification[J]. Acta Physico-Chimica Sinica, ;2005, 21(07): 711-715. doi: 10.3866/PKU.WHXB20050703 shu

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

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 Date: 5 November 2004
Available Online: 15 July 2005

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 od machining performance.
- Third-order nonlinear optical property;Polyamic acid;Quantum chemistry calculation;CIS method
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