Molecular Packing Structure of Mesogenic Octa-Hexyl Substituted Phthalocyanine Thin Film by X-ray Diffraction Analysis
Molecular Packing Structure of Mesogenic Octa-Hexyl Substituted Phthalocyanine Thin Film by X-ray Diffraction Analysis
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X 射线衍射分析介晶八己基取代酞菁薄膜的分子堆积结构
DOI：
10.1166/jnn.2016.12288
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发表时间：
2016
影响因子：
--
通讯作者：
Masashi Ohmori
中科院分区：
文献类型：
--
作者：
Y. Itoh;T. Kawashima;K. Washio;Masashi Ohmori
1，4，8，11，15，18，22，25-八己基酞菁(C6PcH2)是一种很有前途的溶液可加工有机薄膜太阳能电池小分子材料，用X射线衍射法研究了其薄膜中的分子堆积结构。旋涂薄膜中C6PcH2的晶体结构为中心矩形结构(a=36.4ä，b 20.3ä)。酞菁核法向向量与柱轴的倾斜角为34~39°，分子间最短距离为3.9~4.0°。X射线衍射分析确定的晶体结构与傅立叶分析计算的晶体结构一致。
The molecular packing structure in a thin film of the liquid crystalline phthalocyanine, 1,4,8,11,15,18,22,25-octahexylphthalocyanine (C6PcH2), which is a promising small-molecular material for solution-processable organic thin-film solar cells, has been investigated by X-ray diffraction (XRD) measurement. The crystal structure of C6PcH2 in the spin-coated film was determined to be a centered rectangular structure (a= 36.4Å, b 20.3 Å). The tilt angle of the phthalocyanine core normal vector was 34–39° from the column axis, and the shortest intermolecular distance was 3.9–4.0 Å. The crystal structure determined by XRD analysis was ascertained to be consistent with that calculated by Fourier analysis.