Ab initio molecular dynamics study of the liquid phase of antimony pentafluoride was carried out. A high tendency of SbF5 to oligomerize was confirmed. Analysis of the electronic wave functions indicated a very little covalent character for the Sb-F bond. Furthermore, the equatorial fluorines of a terminal SbF6 unit of an oligomeric chain were more "basic" than the axial one.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics