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Microwave Spectroscopy of BrBO

Kasuya1, Okabayashi, Watanabe

  • 1Faculty of Science, Shizuoka University, 836 Oya, Shizuoka, 422-8529, Japan

Journal of Molecular Spectroscopy
|December 16, 1998
PubMed
Summary

Researchers studied the molecular structure of four bromine boronyl (BrBO) isotopomers using microwave spectroscopy. This analysis determined precise bond lengths and provided insights into the electronic characteristics of the Br-B bond.

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Area of Science:

  • Molecular Spectroscopy
  • Physical Chemistry
  • Quantum Chemistry

Background:

  • Understanding the structure and bonding of small molecules is crucial for advancing chemical theory.
  • Bromine boronyl (BrBO) is a molecule with potential applications and interesting electronic properties.
  • Previous studies may have lacked detailed structural information for various isotopomers.

Purpose of the Study:

  • To investigate the microwave spectra of four BrBO isotopomers.
  • To determine the precise molecular structure, including bond lengths, of BrBO.
  • To analyze the electronic characteristics, such as pi and ionic character, of the Br-B bond.

Main Methods:

  • Observation of microwave spectra for four isotopomers (79Br10BO, 81Br10BO, 79Br11BO, 81Br11BO).

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  • Measurements conducted in a dc glow discharge plasma using boron tribromide and oxygen.
  • Analysis of rotational transitions in ground and vibrationally excited states (nu2, nu3).

    • Main Results:

    • Accurate rotational constants were determined for the ground states of all four isotopomers.
    • Substitution structure yielded rs(Br-B) = 1.835791(70) Å and rs(B-O) = 1.20472(25) Å.
    • Fermi resonance was identified between the 2nu2 and nu3 states for the 11B species.

    Conclusions:

    • The study provides precise structural parameters for BrBO isotopomers.
    • Insights into the electronic nature of the Br-B bond were gained through analysis of the bromine quadrupole coupling constant.
    • Comparison with related molecules (BrCN, BrBS) aids in understanding bonding trends.