电介质响应中编码的固态旋转运动图像

IF 19 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY
Marzena Rams-Baron, Alfred Błażytko, Karolina Jurkiewicz, Piotr Lodowski, Maria Książek, Joachim Kusz, Witold Mozga, Marta Fordymacka, Mahshid Teymouri, Julia Krzywik and Marian Paluch
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引用次数: 0

摘要

未来开发具有可控旋转功能的先进分子系统需要开发一种有效的方法来评估人工机器部件的旋转性能。我们确定了静态非极性大晶体框架中极性旋转体介电行为的两种模式,显示了固态旋转运动的光谱和分子级特征之间的关系。用氟原子对亚苯基旋转体进行各种官能化处理后,其旋转性能从高到低发生了变化,旋转势垒从 6.06 到 11.84 kcal mol-1。元-F-取代有利于转子-转子接触,从而实现快速旋转运动。相反,转子-定子接触的存在抑制了独立的转子动力学,导致损耗峰值振幅在温度变化方面出现相反的光谱行为。我们的观察结果得到了基于非对称双井电位模型的分析的支持,该分析表明,容易察觉的光谱差异包含了一些对实现旋转运动非常重要的分子级信息。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Image of the solid-state rotary motion encoded in the dielectric response
The future development of advanced molecular systems with controlled rotation requires the development of an effective methodology for assessing the rotational performance of artificial machine components. We identified two patterns of the dielectric behavior for polar rotators in a static non-polar framework of sizable crystal showing relations between the spectral and molecular-level features of solid-state rotary motion. Various functionalization of phenylene rotors with a fluorine atom(s) changed rotational performance from high to low with rotational barriers ranging from 6.06 to 11.84 kcal mol−1. The meta-F-substitution favored rotator-rotator contacts allowing for the implementation of fast rotary motion. Contrary, the presence of rotator-stator contacts inhibited independent rotator dynamics leading to opposite spectral behavior in terms of temperature evolution of loss peak amplitude. Our observations, supported by an analysis based on an asymmetric double well-potential model, show that easily noticeable spectral differences encoded some molecular-level information important for the implementation of rotary motion.
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来源期刊
Reports on Progress in Physics
Reports on Progress in Physics 物理-物理:综合
CiteScore
31.90
自引率
0.00%
发文量
45
审稿时长
6-12 weeks
期刊介绍: Reports on Progress in Physics is a highly selective journal with a mission to publish ground-breaking new research and authoritative invited reviews of the highest quality and significance across all areas of physics and related areas. Articles must be essential reading for specialists, and likely to be of broader multidisciplinary interest with the expectation for long-term scientific impact and influence on the current state and/or future direction of a field.
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