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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Local Atomic Structure in Photoisomerized Ruthenium Sulfur Dioxide Complexes Revealed by Pair Distribution Function Analysis
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Local Atomic Structure in Photoisomerized Ruthenium Sulfur Dioxide Complexes Revealed by Pair Distribution Function Analysis

机译：光致氢钌硫化钌的局部原子结构通过对分布函数分析显示

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SO2 linkage photoisomerization in crystalline ruthenium-based complexes has demonstrated nanophotonic phenomena such as optical switching and nano-optomechanical transduction. Molecular insights into these materials have been explored largely via the characterization of their photoinduced crystal structures via in situ single-crystal X-ray diffraction, known as photocrystallography. Photoinduced molecular disorder is present, which photocrystallography can model to the extent that it is confined within the periodic boundary of a unit cell. However, non-periodic molecular disorder is suspected to exist as well. In situ total scattering experiments were therefore carried out on finely powdered crystals of four ruthenium-sulfur dioxide complexes. Data were modeled using light-minus-dark' difference pair distribution function analysis, which afforded photoinduced structural changes exclusively. This revealed structural features that were first compared against models of photoinduced crystal structures known a priori from photocrystallography. Statistical inference was then employed, which evidenced generally good agreement between the total scattering data and the photocrystallographic models, while revealing real differences that are indicative of a structure with only a short-range order. Overall, our findings demonstrate that in situ light-induced total scattering experiments on finely powdered crystals are able to reveal the photoinduced structure. The evidence suggests that such structure could include a short-range order as well as photocrystallographic content. Our demonstration experiment offers a pathway to develop studies that capture the short-range order in linkage photoisomers, while we have outlined the procedure for testing the validity of associated structural models.
机译：SO2基于钌的络合物中的SO2连接光学硅酸盐已经证明了纳米光影现象，如光学开关和纳米光机电转导。已经通过原位单晶X射线衍射表征它们的光致晶体结构的表征，这已经探讨了这些材料的分子见解，称为光晶型。存在光诱导的分子紊乱，其中光晶造影可以模拟其限制在单位细胞的周期性边界内。然而，怀疑不周度分子障碍也存在。因此，原位总散射实验在四种钌 - 硫含量复合物的细粉晶体上进行。使用光 - 暗暗“差异对分布函数分析进行建模数据，该分布函数分析专门提供了光诱导的结构性变化。这揭示了与从光镀合术中已知的光晶结构的模型相比，首先进行了结构特征。然后采用统计推断，其在总散射数据和光镀页模型之间证明了通常良好的一致性，同时揭示了仅具有短距离顺序的结构的实际差异。总体而言，我们的研究结果表明，原位光诱导的粉末晶体上的总散射实验能够露出光诱导的结构。证据表明，这种结构可以包括短程顺序以及光电镀内容。我们的演示实验提供了一种开发研究的途径，旨在捕获联动光料体中的短线顺序，而我们已经概述了测试相关结构模型的有效性的过程。

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