Engineering of Rotational Dynamics via Polymorph Manipulation

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL
Alfred Błażytko, Marzena Rams-Baron*, Maria Książek, Joachim Kusz, Marek Matussek, Joanna Grelska and Marian Paluch, 
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引用次数: 0

Abstract

We used dielectric spectroscopy to uncover the rotational dynamics of the fluorophenyl rotor in different polymorphs of two amphidynamic crystals with identical sizable cores. The rotor solid-state dynamics were investigated in various crystalline environments. We did not change the chemical structure of the crystal itself, but while maintaining the same atomic composition, we changed the arrangement of atoms in space by taking advantage of crystal polymorphism, providing an alternative approach to one based on searching for new, chemically different entities with desirable functionality. We demonstrated that via polymorph variation, we can efficiently improve rotor solid-state performance and reduce the rotational barrier height by 30%. Our findings advance the understanding of polymorph engineering as a prospective trend in amphidynamic crystal technology, which uses the phenomenon of crystal polymorphism to design crystals displaying applicable internal rotational dynamics.

Abstract Image

基于多态操纵的旋转动力学工程
我们使用介电光谱揭示了两种具有相同大小核的两动力晶体在不同多晶态下的氟苯基转子的旋转动力学。研究了转子在不同结晶环境下的固态动力学。我们没有改变晶体本身的化学结构,但在保持相同的原子组成的同时,我们通过利用晶体多态性改变了原子在空间中的排列,提供了一种基于寻找具有理想功能的新的化学不同实体的替代方法。我们证明,通过改变晶型,可以有效地提高转子的固态性能,并将旋转势垒高度降低30%。我们的发现促进了对多晶工程的理解,这是两种动态晶体技术的一个有前景的趋势,它利用晶体多晶现象来设计具有适用的内部旋转动力学的晶体。
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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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