p-xylene@silicalite-1晶体结构。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S2056989024011642

In-Chul Hwang

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引用次数: 0

摘要

用单晶x射线衍射分析了含8个对二甲苯的高负载硅石-1 （SL-1）配合物的晶体结构。在晶体中，每个晶胞有四个对称的Si24O48·2C8H10亚基。对二甲苯分子位于SL-1通道内的两个不同位置。第一分子位于正弦通道和直线通道的交叉处，而第二客体分子位于正弦通道的双十元环（10-MR）的中心。

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Crystal structure of p-xylene@silicalite-1

In order to observe the maximum adsorption amount and arrangement state of p-xylene molecules in a microporous single-crystal of silicalite-1 (SL-1), single-crystal X-ray diffraction analysis was performed.

The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight molecules of p-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si₂₄O₄₈·2C₈H₁₀ subunits per unit cell are observed. The p-xylene molecules sit at two different positions within the SL-1 channels. The first molecule is located at the intersection of the sinusoidal and straight channels, while the second guest molecule is positioned in the center of the double ten-membered ring (10-MR) of the sinusoidal channel.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.