【摘要】 采用量子化学半经验FF/PM3方法,讨论了水杨醛缩苯胺分子中两个苯环的对位被推、拉电子基团取代后,体系电子结构和非线性光学性质的变化.考察了分子的电子结构对非线性光学性质影响的微观本质,结果表明:得到的具有配体-共轭桥键-受体型结构的水杨醛缩苯胺分子显示了良好的非线性光学性质.更多还原

【Abstract】 The change of non-linear optical property and electronic structure of the system of contraposition of two benzene in salicylaldehyde with aniline superseded by a donor or an acceptor was discussed by quantum chemical FF/PM3.The micromechanism of the influence of the molecular electronic structure on non-linear optical property was examined.Slicylldehyde with aniline bearing donor-conjugate bridgeacceptor demonstrates better non-linear optical property.更多还原