What is the role of the elusive conical intersection in the dissociative photoionization of methyl iodide (CH3I)?
Label:chem
Topic
The study investigates the valence-shell dissociative photoionization of methyl iodide (CH3I) using double imaging photoelectron photoion coincidence (i2PEPICO) spectroscopy and high-level ab initio calculations. The elusive conical intersection is found to mediate internal conversion from the first excited state, CH3I+(~A 2A1), to the ground cationic state, leading to the formation of methyl ions (CH3+).
From: "Evidencing an elusive conical intersection in the dissociative photoionization of methyl iodide", Chemical Science, Volume 15, Issue 9, 28 February 2024, Pages 3203-3213
Answer
The elusive conical intersection plays a crucial role in mediating internal conversion from the first excited state to the ground cationic state, facilitating the transfer of population and leading to the formation of methyl ions (CH3+). The n5 scissors vibrational mode promotes access to this conical intersection.
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