| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1315555 | Journal of Fluorine Chemistry | 2007 | 5 Pages |
Quantum-chemical calculations at DFT B3LYP and ab initio MP2, CCSD, and CCSD(T) levels have been performed on various binary fluorides of platinum up to formal oxidation state +VIII, to evaluate the stability of these species. The calculations indicate clearly that elimination of F2 from PtF8 is a strongly exothermic reaction, with a moderate activation barrier. An exothermic decay is also observed for the homolytic bond breaking. Furthermore, our investigations suggest that both decomposition channels of PtF7 are exothermic. The existence of platinum fluorides higher than PtF6 is therefore highly unlikely.
Graphical abstractWhile the highest platinum fluoride characterized beyond doubt is PtF6 we have investigated higher platinum fluorides by state-of-the-art quantum-chemical calculations up to high oxidation state +VIII. Figure optionsDownload full-size imageDownload as PowerPoint slide
