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Rotational Spectrum of CD2I2

Kisiel1, Pszczólkowski, Favero

  • 1Institute of Physics, Polish Academy of Sciences, Al.Lotników 32/46, Warsaw, 02-668, Poland;

Journal of Molecular Spectroscopy
|December 16, 1998
PubMed
Summary

This study presents the first rotational spectrum analysis of diiodomethane-d2 (CD2I2), detailing its molecular structure and nuclear quadrupole coupling tensors. These findings advance our understanding of molecular spectroscopy and heavy-atom substituted compounds.

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Area of Science:

  • Molecular Spectroscopy
  • Quantum Chemistry
  • Chemical Physics

Background:

  • Accurate molecular structure determination is crucial for understanding chemical properties.
  • Rotational spectroscopy provides high-precision molecular structural data.
  • Previous studies on CH2I2 lacked comprehensive spectroscopic analysis.

Purpose of the Study:

  • To measure and analyze the rotational spectrum of diiodomethane-d2 (CD2I2).
  • To determine spectroscopic constants and nuclear quadrupole coupling tensors.
  • To evaluate the molecular structure (r0 and r*) of CD2I2.

Main Methods:

  • Utilized two millimeter wave spectrometers for broad frequency coverage.
  • Measured low-J transitions with a free jet spectrometer (59-69 GHz).

Related Experiment Videos

  • Measured high-J transitions at room temperature (167-338 GHz).

    • Main Results:

    • Determined spectroscopic constants using a sextic rotational Hamiltonian.
    • Analyzed hyperfine structure to obtain iodine nuclear quadrupole coupling tensors.
    • Calculated r0 and r* structures, including bond lengths and angles.

    Conclusions:

    • Completed the first analysis of the rotational spectrum for a molecule with two iodine nuclei.
    • Provided precise structural parameters for CD2I2.
    • The results contribute to the understanding of halogenated methane derivatives.