Shape resonance effects in the photoabsorption spectra of BF3
- 15 July 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (2) , 619-624
- https://doi.org/10.1063/1.442078
Abstract
Multiple‐scattering model calculations of cross sections for dipole transitions from all occupied orbitals of BF3 to excited bound states and continuum states of electron kinetic energy K‐shell calculations are in qualitative agreement with, and provide a clear interpretation of, the measured spectra. Two shape resonances are found in the low energy continuum: one of a′1 symmetry, the other of e′ symmetry. The resonances are found to be due to trapping of p waves on the fluorine atoms. This atomic localization as well as the dominance of low‐l partial waves outside the molecule put these shape resonances in a class distinct from those observed in diatomic molecules.Keywords
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