Classical collision spectrum of O + CO.

Area of Science:

• Chemical Physics
• Molecular Dynamics
• Spectroscopy

Background:

• Classical trajectories can yield molecular spectra via Fourier transform of autocorrelation functions.
• Extending spectral analysis to collision product trajectories is a key challenge in chemical dynamics.

Purpose of the Study:

• To introduce and validate a "classical collision spectrum" (CCS) derived from the dipole moment function of collision product trajectories.
• To investigate the spectral resolution and quantum-like features of the CCS.

Main Methods:

• Fourier transform of the dipole moment function of classical collision product trajectories.
• Analysis of O + CO collisions at 8 km/s, focusing on CO product trajectories.
• Application of trajectory weighting methods to enhance spectral resolution.

Main Results:

• The CCS is related to the product cross section and Einstein A factor.
• CCS analysis of O + CO collisions revealed quantum-like features, including vibrational overtones and rotational band heads.
• Spectral resolution of CCS is influenced by trajectory weighting methods.

Conclusions:

• The CCS method provides a novel approach to analyzing molecular collision dynamics.
• CCS exhibits quantum-like spectral features, offering potential for detailed ro-vibrational state analysis.
• Chaotic trajectories are expected to limit the resolution of CCS, impacting the separation of specific cross sections.