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Dynamics of the Oxygen Atom Transfer Reaction between Carbon Dioxide and the Tantalum Cation.

ABSTRACT: The understanding of fundamental atomic-level processes often requires well-defined model systems. The oxygen atom transfer from CO₂ to a transition metal cation in the gas phase presents such a model system. We investigate the reaction of Ta⁺ + CO₂ for which the formation of TaO⁺ is highly efficient and attributed to multistate reactivity. Here, we study the atomistic dynamics of the oxygen atom transfer reaction by recording experimental energy and angle differential cross sections by crossed beam velocity map imaging supported by ab initio quantum chemical calculations. Product ion velocity distributions are dominated by signatures for indirect dynamics, despite the reaction being highly exothermic. Product kinetic energy distributions show little dependence on additional collision energy even with only four atoms involved, which hints at dynamical trapping behind a submerged barrier.

SUBMITTER: Meta M

PROVIDER: S-EPMC10291641 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature

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Dynamics of the Oxygen Atom Transfer Reaction between Carbon Dioxide and the Tantalum Cation.

Meta Marcel M Huber Maximilian E ME Michaelsen Tim T Ayasli Atilay A Ončák Milan M Wester Roland R Meyer Jennifer J

The journal of physical chemistry letters 20230608 24

The understanding of fundamental atomic-level processes often requires well-defined model systems. The oxygen atom transfer from CO2 to a transition metal cation in the gas phase presents such a model system. We investigate the reaction of Ta+ + CO2 for which the formation of TaO+ is highly efficient and attributed to multistate reactivity. Here, we study the atomistic dynamics of the oxygen atom transfer reaction by recording experimental energy and a ...[more]

PMID: 37290113

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