封面:关于在复杂氢化铝的 27Al NMR 研究中使用所罗门回波(ChemistryOpen 1/2024)

IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY ChemistryOpen Pub Date : 2024-01-11 DOI:10.1002/open.202300294
Dr. Bodo Zibrowius, Dr. Michael Fischer
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引用次数: 0

摘要

封面显示的是 KAlH4 的静态固态 27Al NMR 光谱和这种材料的晶体结构。光谱显示了卫星跃迁的典型一阶四极扩大,这是由铝核的四极矩与电场梯度的相互作用引起的。因此,铝核是电荷分布的探针,因此也是局部几何形状的探针。从密度泛函理论(DFT)计算中可以获得补充信息,如图像下部的 DFT 电子密度图所示。作者感谢弗兰克-霍夫曼博士(汉堡)制作封面图片。更多信息,请参阅 Bodo Zibrowius 等人的研究文章。
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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Front Cover: On the Use of Solomon Echoes in 27Al NMR Studies of Complex Aluminium Hydrides (ChemistryOpen 1/2024)

The Front Cover shows the static solid-state 27Al NMR spectrum of KAlH4 in front of the crystal structure of this material. The spectrum exhibits the typical first-order quadrupole broadening of the satellite transitions that is caused by the interaction of the quadrupole moment of the aluminium nuclei with the electric field gradient. Therefore, the aluminium nuclei act as probe for the charge distribution, and hence for the local geometry. Complementary information can be obtained from density functional theory (DFT) calculations, as highlighted by the DFT electron density map in the lower part of the image. The authors are grateful to Dr. Frank Hoffmann (Hamburg) for preparing the cover image. More information can be found in the Research Article by Bodo Zibrowius et al.

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来源期刊
ChemistryOpen
ChemistryOpen CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
4.80
自引率
4.30%
发文量
143
审稿时长
1 months
期刊介绍: ChemistryOpen is a multidisciplinary, gold-road open-access, international forum for the publication of outstanding Reviews, Full Papers, and Communications from all areas of chemistry and related fields. It is co-owned by 16 continental European Chemical Societies, who have banded together in the alliance called ChemPubSoc Europe for the purpose of publishing high-quality journals in the field of chemistry and its border disciplines. As some of the governments of the countries represented in ChemPubSoc Europe have strongly recommended that the research conducted with their funding is freely accessible for all readers (Open Access), ChemPubSoc Europe was concerned that no journal for which the ethical standards were monitored by a chemical society was available for such papers. ChemistryOpen fills this gap.
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