【摘要】 三聚噻吩衍生物的三阶非线性光学系数研究孙岳明丁志峰刘举正（东南大学化学化工系，南京２１００１８）从拓宽激光技术及信息处理应用范畴的观点出发，具有较大的非线性光学响应的共轭有机分子显得十分重要［１～４］．增加有效共轭长度即增加π电子离域范围通常被认为...更多还原

【Abstract】 The electronic structures and the hyper polarisabilities γ of thiophene α bithiophene, α terthiophene and its derivatives are calculated by the finite field method in combination with the MNDO molecular orbital method. This computational technique, which has been developed for calculating the polarisation of large organic molecules by a perturbing electronic field, is discussed. The changes in γ that occur as a result of different selections of substituent groups. different lengthes of the chain are described. The results of the chain are discussed and compared with the experimental ones.更多还原