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Threshold Photoelectron Spectroscopy of Monosulfur Monofluoride.

Ugo Jacovella1, Bérenger Gans1, Myriam Drissi2

  • 1Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, 91405, Orsay, France.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
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PubMed
Summary

This study precisely measured the adiabatic ionization energy (AIE) of monosulfur monofluoride (SF) using advanced spectroscopy. The findings provide crucial benchmark data for SF thermochemistry and computational chemistry.

Keywords:
ions and propertiesphotoelectron spectroscopyphotoionizationradicalssynchrotron radiation

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Area of Science:

  • Chemical Physics
  • Molecular Spectroscopy
  • Quantum Chemistry

Background:

  • Monosulfur monofluoride (SF) is a key molecule in sulfur chemistry.
  • Accurate fundamental energies are needed for SF and its ions.
  • Previous spectroscopic data for SF lacked high precision.

Purpose of the Study:

  • To determine highly accurate spectroscopic constants and fundamental energies for SF.
  • To establish a benchmark adiabatic ionization energy (AIE) for SF.
  • To improve the reliability of thermochemical data for SF.

Main Methods:

  • Threshold photoelectron spectroscopy (TPES) utilizing vacuum ultraviolet synchrotron radiation.
  • Coupling a microwave discharge reactor with synchrotron-based spectroscopy.
  • Ab initio calculations to support experimental data analysis.

Main Results:

  • Precise determination of spectroscopic constants for SF.
  • Measurement of the adiabatic ionization energy (AIE) of SF as 10.195(5) eV.
  • Generation of TPES and photoion yield spectra for SF.

Conclusions:

  • The determined AIE of SF is the most accurate to date.
  • This high-precision AIE serves as a critical benchmark for theoretical calculations.
  • The study enhances the accuracy of thermochemical databases involving SF.