Reply to comment by Röckmann and Kaiser on 'Evidence for O-atom exchange in the O(^1D) + N_2O reaction as the source of mass-independent isotopic fractionation in atmospheric N_2O'

摘要

Based upon the authors’ questioning of the existenceudof the C_(2v) intermediate, we have reviewed our evidence forudthe existence of this state. It now appears that this state was in fact an artifact of our calculation [Yung et al., 2004], and was a saddle point rather than a true minimum. Our desire to provide a timely response to this criticism has kept us from determining exactly what minimum structure will be obtained by a full minimization at the level of theory employed. However, it is clear that the C_(2v) symmetry of the compound is broken in such a way that the two N-O bonds are no longer equivalent. We are grateful to the authors for helping us resolve this issue.