Exploring crystal structure–physical property relationships with pressure

IF 2.9 2区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

IUCrJ Pub Date : 2024-07-01 DOI:10.1107/S205225252400602X

David R. Allan

引用次数: 0

Abstract

From its conception, X-ray crystallography has provided a unique understanding of the structure, bonding and electronic state of materials, which, in turn, unlocks a means of examining the properties and function of crystalline systems. Using state-of-the-art single-crystal X-ray diffraction, along with UV–Vis spectroscopy and DFT calculations, Zwolenik et al. [(2024). IUCrJ, 11, 519–527] have provided a comprehensive study of the structure–optical property relationship of 1,3-diacetylpyrene with methodologies that are increasingly accessible to non-specialist laboratories.

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利用压力探索晶体结构与物理特性之间的关系。

X 射线晶体学从一开始就为人们提供了对材料结构、键合和电子状态的独特理解，这反过来又开启了研究晶体系统特性和功能的途径。Zwolenik 等人[(2024). IUCrJ, 11, 519-527]利用最先进的单晶 X 射线衍射技术、紫外可见光谱技术和 DFT 计算技术，对 1,3 二乙酰基苯乙烯的结构与光学性质之间的关系进行了全面研究，其方法越来越多地为非专业实验室所采用。

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

IUCrJ CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.50

自引率

5.10%

发文量

审稿时长

10 weeks

期刊介绍： IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr). The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.