Quantum chemical study of trivalent group 12 fluorides.
In view of the recent experimental observation of the existence of tetravalent Hg (IV) in HgF 4, a quantum chemical study of various trivalent group 12 M(III) fluoride complexes has been carried out. The M-F bonds in neutral MF 3 are relatively weak, making these species unlikely targets. Some additional stability can be obtained by dimerizing HgF3 to Hg2F6, which has a doubly fluorine-bridged triplet ground state. Anionic [MF4]- and [MF5]2- species are found to be more stable toward F2 elimination and M-F bond breaking than neutral MF 3.
Riedel
Sebastian
S
Department of Chemistry, University of Helsinki, POB 55 (A. I. Virtasen aukio 1), Helsinki, Finland. sebastian.riedel@psichem.de
Kaupp
Martin
M
Pyykkö
Pekka
P