Affordable Access

Publisher Website

Comment on ‘Rate coefficients for photoinitiated NO2unimolecular decomposition: energy dependence in the threshold regime’ [Chem. Phys. Lett. 358 (2002) 71]

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
368
Identifiers
DOI: 10.1016/s0009-2614(02)01858-4
Disciplines
  • Physics

Abstract

Abstract Recently, Wittig and co-workers have published rate coefficients k( E) for the unimolecular decomposition of photoinitiated NO 2 close to the dissociation threshold [Chem. Phys. Lett. 358 (2002) 71]. They found out that k( E) for low angular momentum J exhibits a strong increase within 25 cm −1 of the reaction threshold. The authors emphasize that their experimental results are surprising and cannot be understood quantitatively on the basis of current theory on NO 2. In this Comment we demonstrate that recent quantum mechanical calculations of NO 2 resonances on a global 3D-potential energy surface can indeed explain their data close to the dissociation threshold as well as for larger excess energies.

There are no comments yet on this publication. Be the first to share your thoughts.