Effect of hydrostatic pressure on charge carriers in a conducting pyrrole-co-poly(pyrrole-3-carboxylic) copolymer†

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2024-07-02 DOI:10.1039/D4CP01087F
Adam Mizera, Sylwia Zięba, Michał Bielejewski, Alina T. Dubis and Andrzej Łapiński
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Abstract

The charge carriers in conducting pyrrole-co-poly(pyrrole-3-carboxylic) were examined using high-pressure Raman spectroscopy. The molecular structure of the new copolymer was investigated using high-resolution 13C ssNMR, 1H–13C 2D NMR correlation spectroscopy, and density functional theory (DFT) calculations. Bands in Raman spectra that showed the presence of polarons and bipolarons were studied. It was observed that the quantity of polarons and bipolarons correlated with the hydrostatic pressure. At a pressure of 4 GPa, an anomaly in the correlation between pressure and the position of the Raman band was identified.

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静水压力对导电吡咯-共-聚(吡咯-3-羧基)共聚物中电荷载流子的影响。
利用高压拉曼光谱研究了导电吡咯-共-聚(吡咯-3-羧基)中的电荷载流子。利用高分辨率 13C ssNMR、1H-13C 2D NMR 相关光谱和密度泛函理论(DFT)计算研究了这种新型共聚物的分子结构。研究了拉曼光谱中显示极子和双极子存在的波段。研究发现,极子和双极子的数量与静水压力相关。在 4 GPa 的压力下,压力与拉曼光谱带位置之间的相关性出现了异常。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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