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Front Cover: Linear Multiselenium Interactions in Dicationic Oligomers of 1,5-(Diselena)canes: Behavior of Semc σ(mcc-nee) (6≤mc≤16) Elucidated with QTAIM Dual Functional Analysis (ChemistryOpen 7/2021)
ChemistryOpen ( IF 2.3 ) Pub Date : 2021-07-01 , DOI: 10.1002/open.202100119
Satoko Hayashi 1 , Taro Nishide 1 , Kengo Nagata 1 , Waro Nakanishi 1
Affiliation  

The Front Cover shows the key message of our work, that is, the covalency of the chalcogen bonds, in an elegantly simple and attractive manner. To that end, the chalcogen bonds are represented by schematic 3D structures of the bond donor D2Ch and the bond acceptor A-, and their attractive interaction in green. Then, a colorful molecular orbital (MO) diagram where the HOMO-LUMO mixing is represented by the mixing of red (HOMO) and blue (LUMO) into purple (MO) is represented. More information can be found in the Full Paper by Satoko Hayashi et al..
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中文翻译:

封面:1,5-(Diselena)canes 的双阳离子低聚物中的线性多硒相互作用:Semc 的行为 σ(mcc-nee) (6≤mc≤16) 通过 QTAIM 双功能分析阐明 (ChemistryOpen 7/2021)

封面以优雅、简单和吸引人的方式展示了我们工作的关键信息,即硫属元素键的共价键。为此,硫属元素键由键供体 D 2 Ch 和键受体 A -的示意性 3D 结构以及它们在绿色中的吸引力相互作用表示。然后,一个彩色的分子轨道 (MO) 图,其中 HOMO-LUMO 混合由红色 (HOMO) 和蓝色 (LUMO) 混合成紫色 (MO) 表示。更多信息可以在 Satoko Hayashi 等人的全文中找到。
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更新日期:2021-07-02
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