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Article

σ-Hole Bonds and the VSEPR Model—From the Tetrahedral Structure to the Trigonal Bipyramid

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Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU & Donostia International Physics Center (DIPC) PK 1072, 20080 Donostia, Spain
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IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Spain
Academic Editor: Maxim L. Kuznetsov
Received: 9 March 2022 / Revised: 29 March 2022 / Accepted: 7 April 2022 / Published: 19 April 2022
(This article belongs to the Special Issue Define What Is Not Defined: In Chemistry and Beyond)
Complexes linked by various interactions are analysed in this study. They are characterized by the tetrahedral configuration of the Lewis acid centre. Interactions, being a subject of this study, are classified as σ-hole bonds, such as the halogen, chalcogen, pnicogen, and tetrel bonds. In the case of strong interactions, the tetrahedral configuration of the Lewis acid centre changes into the trigonal bipyramid configuration. This change is in line with the Valence-Shell Electron-Pair Repulsion model, VSEPR, and this is supported here by the results of high-level ab initio calculations. The theoretical results concerning the geometries are supported mainly by the Natural Bond Orbital, NBO, method. View Full-Text
Keywords: σ-hole bond; valence-shell electron-pair repulsion model (VSEPR); tetrahedral configuration; trigonal bipyramid configuration; the natural bond orbital (NBO) σ-hole bond; valence-shell electron-pair repulsion model (VSEPR); tetrahedral configuration; trigonal bipyramid configuration; the natural bond orbital (NBO)
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MDPI and ACS Style

Grabowski, S.J. σ-Hole Bonds and the VSEPR Model—From the Tetrahedral Structure to the Trigonal Bipyramid. Sci 2022, 4, 17. https://doi.org/10.3390/sci4020017

AMA Style

Grabowski SJ. σ-Hole Bonds and the VSEPR Model—From the Tetrahedral Structure to the Trigonal Bipyramid. Sci. 2022; 4(2):17. https://doi.org/10.3390/sci4020017

Chicago/Turabian Style

Grabowski, Sławomir J. 2022. "σ-Hole Bonds and the VSEPR Model—From the Tetrahedral Structure to the Trigonal Bipyramid" Sci 4, no. 2: 17. https://doi.org/10.3390/sci4020017

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