Ne*(3P2,0) + CO chemi-ionization reactions: Atomic alignment and molecular orientation effects

Area of Science:

• Chemical Physics
• Quantum Chemistry
• Reaction Dynamics

Background:

• Accurate optical potentials are crucial for understanding Ne* + CO reactions.
• Coupling between neutral and ionic channels influences chemical reactivity.

Purpose of the Study:

• To investigate stereo-dynamic effects on chemical reactivity.
• To analyze control by atomic alignment and molecular orientation.
• To characterize state-to-state passages in the Ne* + CO reaction.

Main Methods:

• Utilized a theoretical approach incorporating optical potentials.
• Examined the coupling between neutral entrance and ionic exit channels.
• Characterized stereo-dynamic control on microscopic reaction passages.

Main Results:

• Identified novel stereo-dynamic effects influencing chemical reactivity.
• Demonstrated control over reaction pathways via atomic alignment and molecular orientation.
• Found that specific reagent quantum states lead to defined transition states and ionic products.

Conclusions:

• Stereo-dynamic control is significant in the Ne* + CO reaction.
• Characterizing state-to-state passages offers general insights into elementary chemical processes.
• This work provides a framework for controlling chemical reactivity through precise atomic and molecular arrangements.