手性多面体的手性度量

IF 2.8 4区 化学 Q2 CHEMISTRY, ANALYTICAL
Chirality Pub Date : 2024-01-14 DOI:10.1002/chir.23633
Tsunehisa Kimura, Ryoma Kimura, Yuki Mizukoshi, Kazuya Furusawa
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引用次数: 0

摘要

为了量化手性形状,有人提出了一种描述粒子形状的张量。该张量被命名为形状张量(S-张量),是流体力学张量的类似物,它与液体中粒子的旋转和平移运动相关联。S 张量的行列式被命名为手性量密度(CMD),是针对手性四面体和八面体计算得出的。结果发现,当镜像互为手性时,CMD 的符号相反;当镜像互为非手性时,CMD 消失。因此,CMD 是区分镜像的良好方法。用 CMD 讨论了手性粒子之间的相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Chiral measure of chiral polyhedrons

Chiral measure of chiral polyhedrons

To quantify chiral shape, a tensor describing the particle shape has been proposed. This tensor, named the shape tensor (S-tensor), is an analog of the hydrodynamic tensor that relates the rotational and translational motions of particles in a liquid. The determinant of the S-tensor, named chirality measure density (CMD), was calculated for chiral tetrahedrons and octahedrons. It was found that CMD is opposite in sign when the mirror images are chiral to each other and vanishes when they are achiral. Therefore, the CMD is a good measure to distinguish the mirror images. The interaction between chiral particles was discussed in terms of the CMD.

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来源期刊
Chirality
Chirality 医学-分析化学
CiteScore
4.40
自引率
5.00%
发文量
124
审稿时长
1 months
期刊介绍: The main aim of the journal is to publish original contributions of scientific work on the role of chirality in chemistry and biochemistry in respect to biological, chemical, materials, pharmacological, spectroscopic and physical properties. Papers on the chemistry (physiochemical, preparative synthetic, and analytical), physics, pharmacology, clinical pharmacology, toxicology, and other biological aspects of chiral molecules will be published.
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