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钾插层并四苯的晶体结构和化学计量组成

Crystal Structure and Stoichiometric Composition of Potassium-Intercalated Tetracene.

作者信息

Hiley Craig I, Inglis Kenneth K, Zanella Marco, Zhang Jiliang, Manning Troy D, Dyer Matthew S, Knaflič Tilen, Arčon Denis, Blanc Frédéric, Prassides Kosmas, Rosseinsky Matthew J

机构信息

Department of Chemistry, University of Liverpool, 51 Oxford Street, Liverpool, L7 3NY, United Kingdom.

Jozef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia.

出版信息

Inorg Chem. 2020 Sep 8;59(17):12545-12551. doi: 10.1021/acs.inorgchem.0c01635. Epub 2020 Aug 11.

DOI:10.1021/acs.inorgchem.0c01635
PMID:32805995
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7482393/
Abstract

The products of the solid-state reactions between potassium metal and tetracene (K:Tetracene, 1:1, 1.5:1, and 2:1) are fully structurally characterized. Synchrotron X-ray powder diffraction shows that only KTetracene forms under the reaction conditions studied, with unreacted tetracene always present for < 2. Diffraction and C MAS NMR show that KTetracene has a crystal structure that is analogous to that of KPentacene, but with the cations ordered on two sites because of the influence of the length of the hydrocarbon on possible cation positions. KTetracene is a nonmagnetic insulator, thus further questioning the nature of reported superconductivity in this class of materials.

摘要

对金属钾与并四苯之间的固态反应产物(钾:并四苯,比例为1:1、1.5:1和2:1)进行了全面的结构表征。同步辐射X射线粉末衍射表明,在所研究的反应条件下仅形成了K并四苯,当比例小于2时总是存在未反应的并四苯。衍射和碳-13固体核磁共振表明,K并四苯具有与K并五苯类似的晶体结构,但由于烃链长度对阳离子可能位置的影响,阳离子在两个位点上有序排列。K并四苯是一种非磁性绝缘体,因此进一步质疑了这类材料中报道的超导性的本质。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/18025aa9acee/ic0c01635_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/714ec7b6f793/ic0c01635_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/86d7e7f7d165/ic0c01635_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/1c62b7e838e4/ic0c01635_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/18025aa9acee/ic0c01635_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/714ec7b6f793/ic0c01635_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/86d7e7f7d165/ic0c01635_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/1c62b7e838e4/ic0c01635_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/465a/7482393/18025aa9acee/ic0c01635_0004.jpg

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本文引用的文献

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J Am Chem Soc. 2018 Dec 26;140(51):18162-18172. doi: 10.1021/jacs.8b11231. Epub 2018 Dec 14.
2
Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids.氧化还原控制的钾离子嵌入两种多环芳烃固体。
Nat Chem. 2017 Jul;9(7):644-652. doi: 10.1038/nchem.2765. Epub 2017 Apr 24.
3
π-electron S = ½ quantum spin-liquid state in an ionic polyaromatic hydrocarbon.
π 电子 S=1/2 量子自旋液体态在离子型多环芳烃中。
Nat Chem. 2017 Jul;9(7):635-643. doi: 10.1038/nchem.2764. Epub 2017 Apr 24.
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Absence of metallicity in K-doped picene: importance of electronic correlations.K 掺杂苝中不存在金属性:电子关联的重要性。
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Intermolecular shielding contributions studied by modeling the (13)C chemical-shift tensors of organic single crystals with plane waves.采用平面波模拟有机单晶的 (13)C 化学位移张量研究分子间屏蔽贡献。
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