两个推挽通道增强了硼烯化合物对双氮的活化作用。
Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds.
作者信息
Zhang Huaiyu, Yuan Rui, Wu Wei, Mo Yirong
机构信息
Institute of Computational Quantum Chemistry, College of Chemistry and Material Science, Hebei Normal University, Shijiazhuang, 050024, P. R. China.
Fujian Provincial Key Laboratory of Theoretical and Computational, Chemistry, State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, iChEM, Xiamen University, Xiamen, 361005, P. R. China.
出版信息
Chemistry. 2020 Feb 26;26(12):2520. doi: 10.1002/chem.202000058. Epub 2020 Jan 30.
Borylenes can bind and activate N . In the end-on bridging borylene-N complexes, the π orbitals of N dominate the σ donation to one of the borylenes whereas the perpendicular π* anti-bonding orbitals of N can accept back-donations from another borylene. Thus, there are two opposite and perpendicular push-pull channels which govern the activation of N and the BNNB bent geometry. More information can be found in the Full Paper by Y. Mo, et al. on page 2619. Invited for the cover of this issue is Huaiyu Zhang and co-workers. The image depicts the push-pull channels in dinitrogen activation by two borylenes. Read the full text of the article at 10.1002/chem.201904724.
硼烯可以结合并激活氮气。在端基桥连的硼烯-氮配合物中，氮的π轨道主导了向其中一个硼烯的σ电子给予，而氮的垂直π*反键轨道可以接受来自另一个硼烯的反馈电子给予。因此，存在两个相反且垂直的推-拉通道，它们控制着氮的活化以及BNNB的弯曲几何结构。更多信息可在Y. Mo等人发表于第2619页的全文中找到。本期封面文章由张怀玉及其同事撰写。该图像描绘了两个硼烯激活氮气过程中的推-拉通道。可在10.1002/chem.201904724阅读该文章的全文。
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