Structure of the strongly associated liquid antimony pentafluoride

An ab initio molecular dynamics study

Simone Raugei, Michael L. Klein

Research output: Contribution to journalArticle

7 Citations (Scopus)

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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Fluorine
Wave functions
antimony
fluorine
Molecular dynamics
liquid phases
tendencies
wave functions
molecular dynamics
Liquids
liquids
electronics
antimony pentafluoride

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Structure of the strongly associated liquid antimony pentafluoride : An ab initio molecular dynamics study. / Raugei, Simone; Klein, Michael L.

In: Journal of Chemical Physics, Vol. 116, No. 16, 22.04.2002, p. 7087-7093.

Research output: Contribution to journalArticle

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