Artikel
Planar Tetracoordinate Fluorine in Binary Clusters
Von Wiley-VCH zur Verfügung gestellt
Planar tetracoordinate fluorine atoms in binary M4F4 − (M = Li, Na) clusters have been predicted using quantum chemical methods.
Planar tetracoordinate fluorine (ptF) species are rare and exotic due to the extreme electronegativity of fluorine. Herein, a ptF species is predicted in the binary Li4F4 − and Na4F4 − clusters. The global minimum of the clusters features C 2v geometry and are stabilized by significant electrostatic interaction. Moreover, multicenter ionic bonds also play a vital role in the stability of the planar C 2v geometry. The present study establishes the first example of ptF center in binary alkali halide cluster.
