CaltechAUTHORS
  A Caltech Library Service

Studies of the photoionization cross sections of CH_4

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

[img]
Preview
PDF - Published Version
See Usage Policy.

339Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20120531-113832942

Abstract

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.455006DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v89/i5/p2998_s1PublisherUNSPECIFIED
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.
Funders:
Funding AgencyGrant Number
NSFCHE85-21391
U. S.-Brazil Science Cooperative Program INT82-19691
Subject Keywords:METHANE, PHOTOIONIZATION, CROSS SECTIONS, ASYMMETRY COEFFICIENTS, PHOTOELECTRON SPECTROSCOPY
Classification Code:PACS: 33.80.Eh; 33.60.+q
Record Number:CaltechAUTHORS:20120531-113832942
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120531-113832942
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.
ID Code:31746
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:31 May 2012 20:09
Last Modified:26 Dec 2012 15:17

Repository Staff Only: item control page