Abstract
In this paper, we argued that the classical explanation to the formation of trigonal planar coordination of the center N and O atoms in N(SiR3)3 and [O(SiR3)3]+ by forming 4-center 2-electron conjugated d-pπ bond was questionable, since it could not correctly predict the configurations of P(SiR3)3 and [S(SiR3)3]+. We found that the trigonal planar configuration of the center N and O atoms was strongly correlated to the greater difference between the electronic negativities of the center atom N/O, and the around Si atoms. We proposed that repulsive interactions among the three positive charged YR3 (Y=Si) moieties resulted in the trigonal planar configuration of the center N and O atoms. This proposal was supported by the predicted trigonal planar configurations of model species [F(BH3)3]− and [O(BH3)3]2−, in which the formation of 4-center 2-electron conjugated d-pπ bond was impossible.
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Funding
This work was supported by Applied Basic Research Project of Shanxi Province (Nos. 201801D221080, 201801D121257); Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi (No. 2019L0814); Taiyuan Normal University Foundation for Leaders of Disciplines in Science; Shanxi “1331 project” Collaborative Innovation Center; Teaching reform project of Taiyuan Normal University (No. JGLX1815); and the Ph.D. Start-up Foundation of Taiyuan Normal University.
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Huo, Rp., Zhang, X. & Zhang, Cf. A new look at the essence of the formation of trigonal planar coordination of the central N and O atoms. Struct Chem 31, 541–546 (2020). https://doi.org/10.1007/s11224-019-01423-9
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DOI: https://doi.org/10.1007/s11224-019-01423-9