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The theoretical interpretation of the Linear/circularly polarized light-induced molecular orientation of the azo group-containing trans-Achiral Schiff base dinuclear complex composite material

机译:含氮杂基团的杂交席夫碱的线性/圆偏振光诱导分子取向的理论解释二维络合物复合材料

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We have investigated linearly polarized UV and circularly polarized UV light-induced molecular orientation, namely increasing optical anisotropy of newly synthesized AZ containing chiral Schiff base Ni (II), Cu (II) and Zn (II) complexes, as organic/inorganic hybrid materials in polymethylmethacrylate (PMMA) cast films. The driving force and reason for polarized UV light-induced molecular orientation of AZ is so-called Weigert effect. The increase of the dichroic was measured with polarized absorption electronic spectra. In addition, we study on newly synthesized composites of AZ containing chiral Schiff base metal complexes with AZ to irradiate with not only linearly but also circularly polarized UV light (Wavelength selective (260, 318(π-π* of AZ) and 380 nm) and continuous wavelength). In addition, we comparison between simulated by TD-DFT and experimental spectra of electronic and CD spectra, and we calculated dipole moments by TD-DFT. Furthermore, we are using the CD spectrum after circularly polarized light UV irradiation, tried to observation change of supramolecular chiral order of the complexes.
机译:我们研究了线性偏振的UV和圆偏振UV光诱导的分子取向,即增加新合成的AZ的光学各向异性含有手性席夫碱Ni(II),Cu(II)和Zn(II)配合物,作为有机/无机杂化材料在聚甲基丙烯酸甲酯(PMMA)浇铸膜中。偏振UV光诱导的AZ的偏振UV光诱导的分子取向的驱动力和原因是所谓的Weigert效应。用偏振吸收电子光谱测量二色性的增加。此外,我们研究了含有Chiral Schiff底座金属配合物的新合成复合材料,与AZ不仅线性而且圆偏振UV光(波长选择性(260,318(AZ)和380nm)照射和连续波长)。此外,我们通过电子和CD光谱的TD-DFT和实验光谱进行比较,我们通过TD-DFT计算了偶极矩。此外,我们在圆偏振光紫外线辐射后使用CD谱,试图观察复合物的超分子手性级的变化。

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