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Quantum chemical study of trivalent group-12 fluorides

Sebastian Riedel, Martin Kaupp, Pekka Pyykkö— 2008

In view of the recent experimental observation of the existence of tetravalent HgIV in HgF4, a quantum chemical study of various trivalent group 12 MIII fluoride complexes has been carried out. The M-F bonds in neutral MF3 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 MF3.

TitelQuantum chemical study of trivalent group-12 fluorides
VerfasserSebastian Riedel, Martin Kaupp, Pekka Pyykkö
Erschienen inInorg. Chem. 2008, 47, 3379 - 3383.