Structure of the strongly associated liquid antimony pentafluoride: An ab initio molecular dynamics study

Simone Raugei, Michael L. Klein

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Abstract

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.

Original languageEnglish
Pages (from-to)7087-7093
Number of pages7
JournalJournal of Chemical Physics
Volume116
Issue number16
DOIs
Publication statusPublished - Apr 22 2002

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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