Spin-Dependent Control of Electronic and Magnetic Properties of 3-Alkylthiophene Oligomers and Their Composites with Aromatic Nanoadditives

IF 0.9 4区化学 Q4 CHEMISTRY, PHYSICAL

High Energy Chemistry Pub Date : 2024-05-13 DOI:10.1134/s0018143924700085

V. I. Krinichnyi

引用次数: 0

Abstract

The energy and spin parameters of 3-alkylthiophene oligomers and their composites with aromatic hydrocarbons have been calculated. The coexistence of polarons with different degrees of delocalization in the studied compounds has been identified. It has been revealed that the electronic and spin properties of the composites undergo a periodic change initiated by the interaction of the oligomers with aromatic nanoadditives. The anisotropic parameters of spin Hamiltonians have been obtained for the systems under study, and their high-resolution EPR spectra have been calculated.

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自旋控制 3-烷基噻吩低聚物及其与芳香族纳米添加剂的复合材料的电子和磁性能

摘要计算了 3-烷基噻吩低聚物及其与芳香烃复合材料的能量和自旋参数。在所研究的化合物中发现了具有不同脱ocalization程度的极子共存。研究发现，低聚物与芳香族纳米添加剂相互作用后，复合材料的电子和自旋特性会发生周期性变化。我们获得了所研究体系自旋哈密顿的各向异性参数，并计算了它们的高分辨率 EPR 光谱。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

High Energy Chemistry 化学-物理化学

CiteScore

1.50

自引率

28.60%

发文量

审稿时长

6-12 weeks

期刊介绍： High Energy Chemistry publishes original articles, reviews, and short communications on molecular and supramolecular photochemistry, photobiology, radiation chemistry, plasma chemistry, chemistry of nanosized systems, chemistry of new atoms, processes and materials for optical information systems and other areas of high energy chemistry. It publishes theoretical and experimental studies in all areas of high energy chemistry, such as the interaction of high-energy particles with matter, the nature and reactivity of short-lived species induced by the action of particle and electromagnetic radiation or hot atoms on substances in their gaseous and condensed states, and chemical processes initiated in organic and inorganic systems by high-energy radiation.