Planar Tetracoordinate Fluorine Atoms

Abstract

Unlike other atoms, planar tetracoordinate fluorines are elusive. So far, there are no theoretical or experimental reports suggesting their existence. Herein, we introduce the first six combinations, whose global minima contain a planar tetracoordinate fluorine. All of them are surrounded exclusively by atoms of group 13. The bonding scheme shown by these species is entirely different from analogous systems with carbon, nitrogen, or oxygen atoms. The magnetic response characterizes these systems mostly σ-aromatic. The planar form is somewhat stabilized by subtle ionic interactions of the fluorine with the peripheral atoms, forming an adequately sized cavity. <br>

InnTl4–nH+ (n = 0∼4): Tetracoordinate Hydrogen in a Planar Fashion?

“…This confers a strong degree of aromaticity, comparable to other inorganic rings. 34,59,126 ■ CONCLUSIONS The previously reported ptH In 4 H + turns out as a first-order saddle point, transitioning into a quasi-planar C 4v -symmetry minimum, but little perturbation from planarity and small energy barrier indicate that it can be viewed as a planar structure when considering zero-point vibrational motions. Our exploration extends to broader In n Tl 4−n H + (n = 0−3) configurations, designating these ptH structures (excluding In 2 Tl 2 H + ) as definitive global minima, solidifying their status as true representatives of planar tetracoordinate hydrogen within the hypercoordinate family.…”

Alkali Metal Decorated Planar Tetracoordinate Hydrogen

“…For example, planar hypercoordination in s-block metals (Li, Be), 13,14 boron, 15 carbon, 16 nitrogen, 4,5,17 oxygen, 4 and even the most electronegative fluorine has also been reported. 18 It is strange that the long list does not contain a planar tetracoordinate hydrogen atom. Tantillo and Gutta investigated some nonclassical carbocations based on cyclooctadiene and tetraene systems with a planar tetracoordinate hydrogen atom (ptH).…”