Franck-Condon Factors to High Vibrational Quantum Numbers V: O₂ Band Systems

Area of Science:

• Spectroscopy
• Quantum Mechanics
• Physical Chemistry

Background:

• Franck-Condon factors are crucial for predicting the intensities of electronic transitions in molecules.
• Accurate Franck-Condon factors are essential for interpreting molecular spectra.
• Previous calculations may not have extended to the highest relevant vibrational quantum numbers.

Purpose of the Study:

• To compute and present comprehensive Franck-Condon factor arrays for specific O2 band systems.
• To extend these calculations to the highest known vibrational quantum numbers for O2.
• To provide a valuable resource for researchers studying oxygen spectroscopy.

Main Methods:

• Numerical computation of Franck-Condon factors.
• Utilizing accurate molecular potentials and wavefunctions for O2.
• Extending calculations to high vibrational quantum numbers.

Main Results:

• Generated extensive arrays of Franck-Condon factors for selected O2 band systems.
• Calculations cover the highest currently known vibrational quantum numbers for these systems.
• The computed factors are presented for detailed spectroscopic analysis.

Conclusions:

• The computed Franck-Condon factors provide an updated and extended dataset for O2.
• These results facilitate more accurate interpretation of O2 electronic spectra.
• The study offers a valuable resource for advancing molecular spectroscopy research.