Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction.
Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction.
复制标题
利用共振 X 射线衍射解析结晶聚 (3-己基噻吩) 的主链倾斜。
DOI：
10.1039/d2mh00244b
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发表时间：
2022
影响因子：
13.3
通讯作者：
Freychet G
中科院分区：
文献类型：
--
作者：
Freychet G
共轭聚合物在固态下的堆积方式强烈影响基于聚合物的光电器件的性能。然而，即使对于结晶度最高的共轭聚合物，晶胞内链的精确堆积也尚未确定。在这里，我们表明，通过在硫 K 边缘进行共振 X 射线衍射实验，我们能够解决晶胞内结晶聚（3-己基噻吩）（P3HT）平面主链的倾斜问题。这种方法利用了共轭聚合物 X 射线光学特性的各向异性，使我们能够辨别不同的晶体结构。通过将我们的数据与基于不同方向的模拟进行比较，确定平面共轭主链相对于侧链堆叠方向的倾斜为 30 ± 5°。
The way in which conjugated polymers pack in the solid state strongly affects the performance of polymer-based optoelectronic devices. However, even for the most crystalline conjugated polymers the precise packing of chains within the unit cell is not well established. Here we show that by performing resonant X-ray diffraction experiments at the sulfur K-edge we are able to resolve the tilting of the planar backbones of crystalline poly(3-hexylthiophene) (P3HT) within the unit cell. This approach exploits the anisotropic nature of the X-ray optical properties of conjugated polymers, enabling us to discern between different proposed crystal structures. By comparing our data with simulations based on different orientations, a tilting of the planar conjugated backbone with respect to the side chain stacking direction of 30 ± 5° is determined.