Charge Transfer Reactions between Water Isotopologues and Kr⁺ ions.

ABSTRACT: Astrochemical models often adopt capture theories to predict the behavior of experimentally unmeasured ion-molecule reactions. Here, reaction rate coefficients are reported for the charge transfer reactions of H₂O and D₂O molecules with cold, trapped Kr⁺ ions. Classical capture theory predictions are found to be in excellent agreement with the experimental findings. A crossing point identified between the reactant and product potential energy surfaces, constructed from high-level ab initio calculations, further supports a capture-driven mechanism of charge transfer. However, ion-molecule reactions do not always agree with predictions from capture theory models. The appropriateness of using capture theory-based models in the absence of detailed experi

SUBMITTER: Tsikritea A 

PROVIDER: S-EPMC9136950 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature