SbおよびTe化合物のリガンド交換・リガンドカップリング反応メカニズム

小林 正人; 黒田 悠介; 秋葉 欣哉; 武次 徹也

doi:10.2477/jccj.2015-0058

Letters (Selected Paper)

Mechanisms of Ligand Exchange and Ligand Coupling Reactions of Sb and Te Compounds

Masato KOBAYASHI, Yusuke KURODA, Kin-ya AKIBA, Tetsuya TAKETSUGU

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Keywords: Hypervalent compounds, Three-center four-electron bond, Natural bond orbital, Dispersion corrected DFT

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2016 Volume 14 Issue 6 Pages 199-200

DOI https://doi.org/10.2477/jccj.2015-0058

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Abstract

Theoretical and computational studies on the mechanisms of ligand exchange reaction (LER) and ligand coupling reaction (LCR) of hypervalent pentacoordinate Sb and tetracoordinate Te compounds were carried out. Contrary to the previous suggestion from experimentalists, the lone pair electrons of Te do not participate in LER. Also, LER of R₅Sb proceeds via a similar mechanism to that of R₄Te. As for the LCR of R₅Sb, the apical-equatorial coupling mechanism was suggested.

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