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Theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules

Langhoff, P. W. and Padial, N. and Csanak, G. and Rescigno, T. N. and McKoy, B. V. (1980) Theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules. Journal de Chimie Physique et de Physico-Chimie Biologique, Molecular Ion Studies, 77 (7-8). pp. 589-598. ISSN 0021-7689. https://resolver.caltech.edu/CaltechAUTHORS:20151118-121132628

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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.


Item Type:Article
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.
Funders:
Funding AgencyGrant Number
US-Latin American Science ProgramUNSPECIFIED
NSFUNSPECIFIED
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)UNSPECIFIED
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)UNSPECIFIED
American Chemical Society Petroleum Research FundUNSPECIFIED
National Research CouncilUNSPECIFIED
Department of Energy (DOE)W-7405-ENG-48
Issue or Number:7-8
Record Number:CaltechAUTHORS:20151118-121132628
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151118-121132628
Official Citation:Theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules Langhoff, P. W.; Rescigno, T. N.; Csanak, N. Padial G.; McKoy, B. V. Journal de Chimie Physique et de Physico-Chimie Biologique, Molecular Ion Studies. Edited by Sydney Leach. Published 1980, p. 589-598
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:62203
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:18 Nov 2015 21:41
Last Modified:03 Oct 2019 09:16

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