Issue 19, 2021

Planar tetracoordinate fluorine atoms


Among the list of planar tetracoordinate atoms, fluorine is missing. So far, there are no theoretical or experimental reports suggesting their existence. Herein, we introduce the first six combinations (FIn4+, FTl4+, FGaIn3+, FIn2Tl2+, FIn3Tl+, and FInTl3+) whose global minima contain a planar tetracoordinate fluorine. The bonding analyses indicate that the interactions between the fluorine and the peripheral atoms are significantly electrostatic, which is also reflected in the electronic delocalization. As opposed to other planar tetracoordinate systems with carbon, nitrogen, or oxygen atoms, the fluorine in the ptFs does not act as a σ-acceptor, restraining any back-donation. On the other hand, σ-electrons show a diatropic response, which would characterize these clusters as σ-aromatic.

Graphical abstract: Planar tetracoordinate fluorine atoms

Supplementary files

Article information

Article type
Edge Article
06 Mar 2021
07 Apr 2021
First published
08 Apr 2021
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2021,12, 6699-6704

Planar tetracoordinate fluorine atoms

G. Castillo-Toraya, M. Orozco-Ic, E. Dzib, X. Zarate, F. Ortíz-Chi, Z. Cui, J. Barroso and G. Merino, Chem. Sci., 2021, 12, 6699 DOI: 10.1039/D1SC01325D

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