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Infrared Matrix Spectra of Lithium Fluoride.

Stanley Abramowitz1, Nicolo Acquista1, Ira W Levin2

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|December 12, 2019
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Summary
This summary is machine-generated.

Researchers found evidence of a linear lithium fluoride dimer (Li2F2) using far-infrared spectroscopy. This study confirms the dimer

Keywords:
Force fieldinfraredlithium fluoride dimerlow temperaturematrixvibrational assignment

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Area of Science:

  • Inorganic chemistry
  • Spectroscopy
  • Quantum chemistry

Background:

  • Lithium fluoride (LiF) is a simple ionic compound.
  • Previous studies suggested the existence of LiF dimers, but their structure remained elusive.
  • Matrix isolation spectroscopy is a powerful technique for studying unstable species.

Purpose of the Study:

  • To investigate the structure of lithium fluoride dimers.
  • To provide spectral evidence for the linear Li2F2 species.
  • To determine the vibrational frequencies of isotopically substituted Li2F2.

Main Methods:

  • Matrix isolation spectroscopy in the far-infrared region.
  • Vapor deposition of lithium fluoride (6LiF, 7LiF, and mixtures) in argon matrices.
  • Normal coordinate analysis to support spectral assignments.

Main Results:

  • Observed spectral features attributed to linear 6Li2F2, 7Li2F2, and mixed isotopic dimers.
  • Identified vibrational assignments consistent with a linear C∞v structure.
  • Distinguished dimer absorptions from monomer LiF absorptions.

Conclusions:

  • The study provides strong evidence for the formation of a linear lithium fluoride dimer (Li2F2).
  • The observed vibrational spectra support a linear molecular geometry.
  • Further studies are needed to definitively determine the dimer's specific geometric configuration.