3D electron diffraction studies of synthetic rhabdophane (DyPO₄·nH₂O).

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2024-10-01 Epub Date: 2024-09-04 DOI:10.1107/S2053229624007885

Ercin C Duran, Mohamed Ruwaid Rafiuddin, Yazhou Shen, Simon A Hunt, Anamul Haq Mir, Alexander S Eggeman

引用次数: 0

Abstract

In this study, we report the results of continuous rotation electron diffraction studies of single DyPO₄·nH₂O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3₁21) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.

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合成荷包牡丹（DyPO4-nH2O）的三维电子衍射研究。

在这项研究中，我们报告了对单个 DyPO4-nH2O (rhabdophane) 纳米晶体进行连续旋转电子衍射研究的结果。衍射图样可以拟合为三棱晶格（P3121），晶格参数为 a = 7.019 (5) 和 c = 6.417 (5) Å。然而，还有一组弥散背景散射特征与无序上层结构有关，该上层结构是这些晶格参数的两倍，并与结构孔中的水分子排列相吻合。根据弥散背景绘制的对分布函数 (PDF) 图可以估算出水相关性的程度，其中沿 c 轴的相关性为 2-3 nm，沿 a/b 轴的相关性为 5 nm。

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

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.

3D electron diffraction studies of synthetic rhabdophane (DyPO4·nH2O).

Abstract

3D electron diffraction studies of synthetic rhabdophane (DyPO₄·nH₂O).