Braunstein, M. and McKoy, V. and Machado, L. E. and Brescansin, L. M. and Lima, M. A. P. (1988) Studies of the photoionization cross sections of CH_4. Journal of Chemical Physics, 89 (5). pp. 2998-3001. ISSN 0021-9606 http://resolver.caltech.edu/CaltechAUTHORS:20120531-113832942
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We present cross sections and asymmetry parameters for photoionization of the 1t_2 orbital of CH_4 using static‐exchange continuum orbitals of CH^+_4 to represent the photoelectron wave function. The calculations are done in the fixed‐nuclei approximation at a single internuclear geometry. To approximate the near‐threshold behavior of these cross sections, we assumed that the photoelectron spectrum is a composite of three electronic bands associated with the Jahn–Teller components of the distorted ion. The resulting cross sections reproduce the sharp rise seen at threshold in the experimental data and are in good agreement with experiment at higher energy. The agreement between the calculated and measured photoelectron asymmetry parameters is, however, less satisfactory.
|Additional Information:||© 1988 American Institute of Physics. Received 11 April 1988; accepted 24 May 1988. This material is based upon research supported by the National Science Foundation under Grant No. CHE8521391 and the U. S.-Brazil Science Cooperative Program under Grant No. INT82-19691. We also acknowledge use of the resources of the San Diego SuperComputer Center. The authors thank Dr. J. A. Stephens for many helpful discussions, and for making available results of earlier multiple scattering calculations on methane.|
|Subject Keywords:||METHANE, PHOTOIONIZATION, CROSS SECTIONS, ASYMMETRY COEFFICIENTS, PHOTOELECTRON SPECTROSCOPY|
|Classification Code:||PACS: 33.80.Eh; 33.60.+q|
|Official Citation:||Studies of the photoionization cross sections of CH4 M. Braunstein, V. McKoy, L. E. Machado, L. M. Brescansin, and M. A. P. Lima J. Chem. Phys. 89, 2998 (1988); http://dx.doi.org/10.1063/1.455006|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Ruth Sustaita|
|Deposited On:||31 May 2012 20:09|
|Last Modified:||26 Dec 2012 15:17|
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