Braunstein, M. and McKoy, V. and Smith, Maile E. (1989) Multiplet‐specific shape resonant features in 3σ_g photoionization of O_2. Journal of Chemical Physics, 90 (8). pp. 3931-3936. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120531-071108202
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We report multiplet‐specific photoionization cross sections and photoelectron angular distributions for the 3σ_g orbital of O_2 leading to the b ^4Σ^−_g and B ^2Σ^−_g ion states obtained using Hartree–Fock photoelectron orbitals. These cross sections show significant nonstatistical behavior at low photoelectron energies which arises from the sensitivity of the kσ_u shape resonance to the exchange potentials of these two molecular ions. Specifically, the oscillator strength associated with the shape resonance in the B^ 2Σ^−_g cross section is shifted to lower energy compared to that of the b^ 4Σ^−_g cross section. This shift gives rise to a quartet to doublet cross section ratio of more than 15:1 near threshold. These effects are difficult to assess in the measured cross sections due to the presence of strong autoionization features. Significant multiplet dependence is also seen in the calculated photoelectron angular distributions.
|Additional Information:||© 1989 American Institute of Physics. Received 5 December 1988; accepted 21 December 1988. This work is supported by the National Science Foundation under Grant No. CHE8521391. The authors acknowledge use of the resources of the San Diego SuperComputer. The authors also thank Dr. C. L. Winstead for bringing the Feshbach-Fano Stieltjes moment theory results of his Ph.D. thesis to our attention.|
|Subject Keywords:||OXYGEN, PHOTOIONIZATION, CROSS SECTIONS, PHOTOELECTRON SPECTROSCOPY, ANGULAR DISTRIBUTION|
|Classification Code:||PACS: 33.80.Eh; 33.60.+q|
|Official Citation:||Multiplet‐specific shape resonant features in 3σg photoionization of O2 M. Braunstein, V. McKoy, and Maile E. Smith J. Chem. Phys. 90, 3931 (1989); http://dx.doi.org/10.1063/1.455803|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Ruth Sustaita|
|Deposited On:||31 May 2012 14:38|
|Last Modified:||26 Dec 2012 15:17|
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