环境极性对某些不对称偶氮苯分子微观非线性光学性质的影响

IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
M. Khadem Sadigh, A. Shamkhali
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引用次数: 0

摘要

溶剂作为一种复杂的环境,可以包围溶质分子并改变其功能。本文从分子水平研究了不同溶质-溶剂相互作用对偶氮染料非线性光学行为的影响。在这种情况下,使用了光谱技术和密度泛函理论(DFT)。结果表明,分子的偶极跃迁、基态和激发态偶极矩的变化、取代基和环境极性对分子的非线性光学响应有重要影响。除了溶剂对分子一阶和二阶超极化率的影响外,由于溶剂诱导的相互作用,双光子吸收截面也被改变。此外,确定主导溶剂效应对分子非线性光学行为的贡献有助于研究光学样品在设计各种光学系统中的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Environment polarity effects on the microscopic nonlinear optical properties of some asymmetrical azobenzene molecules
Solvent as a complex environment can surround solute molecules and modify their function. In this work, different solute-solvent interaction effects on the nonlinear optical behavior of some azo dyes were studied at the molecular level. In this case, spectroscopic technique and density functional theory (DFT) were used. According to the results, molecular dipole transition, changes between ground and excited state dipole moments, substituent, and environment polarity play considerable effects on the molecular nonlinear optical responses. In addition to solvent effects on the molecular first and second-order hyperpolarizability, the two-photon absorption cross section is also modified due to solvent-induced interactions. Moreover, the determination of the contribution of dominant solvent effects on the molecular nonlinear optical behavior can facilitate the studies on the application of optical samples in designing various optical systems.
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来源期刊
Canadian Journal of Chemistry
Canadian Journal of Chemistry 化学-化学综合
CiteScore
1.90
自引率
9.10%
发文量
99
审稿时长
1 months
期刊介绍: Published since 1929, the Canadian Journal of Chemistry reports current research findings in all branches of chemistry. It includes the traditional areas of analytical, inorganic, organic, and physical-theoretical chemistry and newer interdisciplinary areas such as materials science, spectroscopy, chemical physics, and biological, medicinal and environmental chemistry. Articles describing original research are welcomed.
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