Dynamically Hidden Reaction Paths in the Reaction of CF₃ ⁺ + CO.

ABSTRACT: Reaction paths on a potential energy surface are widely used in quantum chemical studies of chemical reactions. The recently developed global reaction route mapping (GRRM) strategy automatically constructs a reaction route map, which provides a complete picture of the reaction. Here, we thoroughly investigate the correspondence between the reaction route map and the actual chemical reaction dynamics for the CF₃ ⁺ + CO reaction studied by guided ion beam tandem mass spectrometry (GIBMS). In our experiments, FCO⁺, CF₂ ⁺, and CF⁺ product ions were observed, whereas if the collision partner is N₂, only CF₂ ⁺ is observed. Interestingly, for reaction with CO, GRRM-predicted reaction paths leading t

SUBMITTER: Oda K 

PROVIDER: S-EPMC9524575 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature