Planar tetracoordinate fluorine atoms.

ABSTRACT: 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-accept

SUBMITTER: Castillo-Toraya G 

PROVIDER: S-EPMC8132929 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature