Social and Behavioral Sciences Commons^™

Communication: New Insight Into The Barrier Governing Co2 Formation From Oh + Co, Christopher Johnson, Berwyck Poad, Ben Shen, Robert Continetti

Berwyck L. J. Poad

Despite its relative simplicity, the role of tunneling in the reaction OH + CO → H + CO(2) has eluded the quantitative predictive powers of theoretical reaction dynamics. In this study a one-dimensional effective barrier to the formation of H + CO(2) from the HOCO intermediate is directly extracted from dissociative photodetachment experiments on HOCO and DOCO. Comparison of this barrier to a computed minimum-energy barrier shows that tunneling deviates significantly from the calculated minimum-energy pathway, predicting product internal energy distributions that match those found in the experiment and tunneling lifetimes short enough to contribute significantly to the overall reaction. …