The relationship between shape resonances and bond lengths
Authors:
- 1 March 1987
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (5) , 2765-2771
Abstract
A discussion is presented on the general nature of shape resonances in small molecules and how they may relate to molecular bond lengths. Criteria for assigning photoabsorption features as shape resonances are described, and the usefulness of photoemission experiments to such assignments is highlighted. Based on these criteria, all unambiguously identified K‐shell shape‐resonance features in molecules containing B, C, N, O, and F are examined in an attempt to identify empirically a shape‐resonance energy/bond length relationship. Although the available data are insufficient to establish a quantitative correlation, they indicate the influence of other variables besides the bond length to the energy position of a shape resonance.Keywords
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