Concerted and sequential three-body fragmentation of deep-core-ionized carbon disulfide

Area of Science:

• Physical Chemistry
• Atomic and Molecular Physics
• Chemical Physics

Background:

• Molecular dissociation dynamics are crucial for understanding chemical reactions.
• Photoionization of core electrons provides a pathway to initiate dissociation.
• Momentum vector correlation is a key technique for probing fragmentation dynamics.

Purpose of the Study:

• To investigate the three-body fragmentation of carbon disulfide (CS2) following sulfur 1s photoionization.
• To differentiate between concerted and sequential dissociation pathways.
• To demonstrate the utility of advanced data visualization in analyzing dissociation dynamics.

Main Methods:

• Utilized momentum imaging techniques to capture the momenta of all fragment ions.
• Applied adapted analysis strategies to disentangle complex fragmentation events.
• Developed and employed novel data visualization schemes for enhanced interpretation.

Main Results:

• Successfully distinguished between concerted and sequential dissociation mechanisms in CS2 fragmentation.
• Identified specific signatures associated with each dissociation pathway.
• Demonstrated the effectiveness of the introduced visualization techniques in resolving dissociation dynamics.

Conclusions:

• Momentum vector correlation, coupled with advanced visualization, is highly effective for studying molecular dissociation.
• The study provides detailed insights into the fragmentation dynamics of carbon disulfide.
• This approach can be generalized to investigate other molecular systems.