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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >The spectroscopic characterization, photochromism of cadmium(II)-iodo complexes of 1-alkyl-2-(arylazo)imidazoles and DFT computation of representative complexes
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The spectroscopic characterization, photochromism of cadmium(II)-iodo complexes of 1-alkyl-2-(arylazo)imidazoles and DFT computation of representative complexes

机译：1-烷基-2-（芳基偶氮）咪唑的镉（II）-碘配合物的光谱表征，光致变色及代表性配合物的DFT计算

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[Cd(Raai-CnH2n+1)(mu-I)I](2) and [Cd(Raai-CnH2n+1)(2)I-2] are synthesized by the reaction of CdI2 with 1-alky1-2(arylazo)imidazole (Raai-CnH2n+1, n = 4, 6, 8) in Me0H in 1:1 and 1:2 M ratio of salt and ligands, respectively. The complexes have been characterized by spectral data (UV Vis, IR, H-1 NMR, Mass). The coordinated Raai-CnH2n+1 1 shows photochromism, E(trans)-to-Z(cis) isomerisation, upon UV light irradiation. The reverse process, Z-to-E, is very slow in visible light irradiation process while the reaction is sensitive to change of reaction temperature. The quantum yields (phi(E -> Z),2) for E-to-Z and the activation energy (Ea) of Z-to-E isomerisation are calculated and found that the complexes show subordinate results compared to free ligand. DFT computations of two representative complexes were carried out to explain the spectral and photochromic phenomena. (C) 2014 Elsevier B.V. All rights reserved.
机译：[Cd（Raai-CnH2n + 1）（mu-I）I]（2）和[Cd（Raai-CnH2n + 1）（2）I-2]是通过CdI2与1-烷基1-2（芳基偶氮）咪唑（Raai-CnH2n + 1，n = 4，6，8）在MeH中的盐和配体比例分别为1：1和1：2 M.配合物已通过光谱数据（紫外可见，红外，H-1 NMR，质谱）表征。配位的Raai-CnH2n + 1 1在紫外光照射下显示出光致变色，即E（反式）-Z（顺式）异构化。 Z-to-E的反向过程在可见光照射过程中非常慢，而反应对反应温度的变化很敏感。计算了E-to-Z的量子产率（phi（E-> Z），2）和Z-to-E异构化的活化能（Ea），发现与游离配体相比，该配合物显示出次要结果。进行了两个代表性配合物的DFT计算，以解释光谱和光致变色现象。 （C）2014 Elsevier B.V.保留所有权利。

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