Abstract
A rebuttal is given to the critique by Piancastelli et al. [J. Chem. Phys. 86, 2765 (1987)] of the relationship between 1s→σ* excitation energies and bond lengths proposed by Sette et al. [J. Chem. Phys. 81, 4906 (1984)]. The anomalous character of σ* resonances in the C1s and O1s spectra of CO2 is explained in terms of dipole selection rules and a large energy splitting between the σ*g and σ*u orbitals.
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Dates
Type | When |
---|---|
Created | 23 years, 1 month ago (July 26, 2002, 9:10 a.m.) |
Deposited | 1 year, 6 months ago (Feb. 10, 2024, 1:57 a.m.) |
Indexed | 1 year, 6 months ago (Feb. 11, 2024, 12:30 a.m.) |
Issued | 37 years, 11 months ago (Sept. 1, 1987) |
Published | 37 years, 11 months ago (Sept. 1, 1987) |
Published Print | 37 years, 11 months ago (Sept. 1, 1987) |
@article{Hitchcock_1987, title={K-shell shape resonances and intramolecular bond lengths. Comments on ‘“The relationship between shape resonances and bond lengths”’}, volume={87}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.453016}, DOI={10.1063/1.453016}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Hitchcock, A. P. and Stöhr, J.}, year={1987}, month=sep, pages={3253–3255} }