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首页> 外文期刊>Crystallography reports >Structure of porphyrin-fullerene dyad monolayer on the water surface and solid substrate
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Structure of porphyrin-fullerene dyad monolayer on the water surface and solid substrate

机译：水表面和固体基质上的卟啉-富勒烯二联体单层结构

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Monolayers of porphyrin-fullerene dyad TBD6a were formed on the surface of a water subphase and then transported on a solid substrate by the Langmuir-Schaefer method. A simulation was performed for the structure of a single molecule and for a molecular monolayer, according to the area per molecule in the monolayer formed, which was calculated based on an analysis of the π-A isotherm. A unit cell was chosen for the proposed molecular packing (a = 1.54 nm, b = 1.50 nm, c = 1.75 nm, α = 80.0°, β = 90.0°, and γ = 90.0°), and the atomic coordinates were calculated. A comparison of the interplanar spacings and diffraction peak intensities in the experimental and calculated (for the unit cell proposed) diffraction patterns indicates that a platelike texture is formed in the monolayer and that the crystal structure of the domains corresponds to the model chosen.
机译：卟啉-富勒烯二联体TBD6a的单层形成在水亚相的表面，然后通过Langmuir-Schaefer方法在固体基质上运输。根据形成的单分子层中每个分子的面积，对单个分子和分子单分子层的结构进行模拟，该面积是基于对π-A等温线的分析得出的。为提出的分子堆积选择一个晶胞（a = 1.54 nm，b = 1.50 nm，c = 1.75 nm，α= 80.0°，β= 90.0°和γ= 90.0°），并计算了原子坐标。在实验和计算的（对于所提出的晶胞）衍射图中，晶面间距和衍射峰强度的比较表明，在单层中形成了板状织构，并且畴的晶体结构与所选模型相对应。

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