Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication
Year: 2012
Type: article
Abstract: The fragmentation of the doubly-charged carbon dioxide molecule is studied after photoexcitation to the C 1s(1)2π(u) and O 1s(1)2π(u) states using a multicoincidence ion-imaging technique. The bent component of the Renner-Teller split states populated in the 1s→ π* resonant excitation at both the carbon and oxygen 1s ionization edges opens pathways to potential surfaces in highly bent geometries in the dication. Evidence for a complete deformation of the molecule is found in the coincident detection of C(+) and O(2)(+) ions. The distinct alignment of this fragmentation channel indicates rapid deformation and subsequent fragmentation. Investigation of the complete atomization dynamics in the dication leading to asymmetric charge separation shows that the primary dissociation mechanisms, sequential, concerted, and asynchronous concerted, are correlated to specific fragment kinetic energies. The study shows that the bond angle in fragmentation can extend below 20°.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.3692293
Authors: J. Laksman, E. P. Månsson, C. Grunewald, A. Sankari, M. Gisselbrecht, D. Céolin, S. L. Sorensen
Institutions: Lund University, Freie Universität Berlin, Synchrotron SOLEIL
Language: English
Topic: Atomic and Molecular Physics
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W1997999049