Accession Number:

ADA482983

Title:

Synthesis, NMR and Vibrational Spectroscopic Characterization, and Computational Study of the cis-IO2F32- Anion (Preprint)

Descriptive Note:

Journal article

Corporate Author:

AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE

Report Date:

2007-11-19

Pagination or Media Count:

19.0

Abstract:

The NCH34 salt of the cis-IO2F3exp 2- anion was synthesized from NCH34IO2F2 and excess NCH34F in CH3CN solvent. The NCH342IO2F3 salt was characterized by Raman, infrared, and 19F solid-state MAS NMR spectroscopy. Geometry optimization and calculation of the vibrational frequencies at the DFT level of theory corroborated the experimental finding that the IO2F32- anion exists as a single isomer with a cis-dioxo and mer-trifluoro arrangement. The fluorine atom in IO2F3exp 2- that is trans to one of the oxygen atoms is very weakly bound with a calculated bond length of 228.1 pm. The IO2F32- anion is only the second example of an AEO2F3 species after XeO2F3-.

Subject Categories:

  • Inorganic Chemistry
  • Physical Chemistry
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE