Theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules
Abstract
An account is given of recent theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules employing separated-channel static-exchange calculations and Stieltjes-Tchebycheff moment-theory techniques. The calculated cross sections, which refer to production of specific parent molecular-ionic states upon removal of electrons from individual orbitals, are compared with the results of photoabsorption, electron-impact-excitation, fluorescence-production, photoelectron spectroscopy, and dipole (e, 2e) measurements. Various structures in the calculated and measured partial-channel cross sections as functions of incident photon energy are identified as having either atomiclike or molecularlike origins. Specifically, σ-orbital cross sections in light diatomic and polyatomic molecules are found to be generally dominated by strong σ - σ^* photoionization resonances of molecularlike origin, whereas π-Orbital cross sections in such molecules exhibit distinctly 2p → kd atomiclike features. These aspects of molecular photoionization are illustrated by detailed theoretical studies of partial-channel cross sections in CO, C0_2, and H_2CO, the results of which are in generally good accord with corresponding measured values.
Additional Information
© 1980 EDP Sciences. Edited by Sydney Leach. Published 1980. It is a pleasure to acknowledge the support of the US-Latin American Science Program, NSF (OIP)-CNPQ (Brazil), of the Foundation for the Advancement of Sicence of the State of Sao Paulo (FAPESP) of the Donors of the Petroleum Research Fund, administered by the American Chemical Society, of the NASA Ames Research Center through the auspices of the U.S. National Research Council, and of the U.S. Department of Energy under contract W-7405-Eng-48.Additional details
- Eprint ID
- 62203
- Resolver ID
- CaltechAUTHORS:20151118-121132628
- US-Latin American Science Program
- NSF
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- American Chemical Society Petroleum Research Fund
- National Research Council
- W-7405-ENG-48
- Department of Energy (DOE)
- Created
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2015-11-18Created from EPrint's datestamp field
- Updated
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2019-10-03Created from EPrint's last_modified field