Formation and transfer of HCl in a macromolecular noncovalent complex: does the roaming atom mechanism play a role?

Key Points

• This research aims to explore the role of the roaming atom mechanism in the formation and transfer of HCl in noncovalent macromolecular complexes.
• Analyzed molecular interactions within macromolecular complexes
• Examined the influence of roaming atom mechanisms on HCl transfer
• Utilized experimental data to evaluate theoretical models
• Identified key roles of roaming atoms in HCl transfer processes
• Demonstrated noncovalent interactions significantly affect HCl formation
• Highlighted inconsistencies in traditional theoretical models when applied to this mechanism