Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes |
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| Authors: | P.R. Keller J.W. Taylor Thomas A. Carlson F.A. Grimm |
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| Affiliation: | Department of Chemistry, University of Wisconsin-Madison, Madison, WI 53706, USA;Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA;Department of Chemistry, University of Tennessee, Knoxville, TN 37996-1600, USA |
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| Abstract: | The angular distribution parameter, β, was determined for the valence orbitals (IP ′ 21.2 eV) of CCl4, CHCl3, CH2Cl2, and CH3Cl in the 10–30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β in the photoelectron energy range of 2 to 10 eV for the non-bonding chlorine n(Cl) orbitals of these molecules was found to be similar for all n(Cl) orbitals investigated. The energy dependence of β for the σ orbitals in these molecules was similar to that observed previously for other σ orbitals. The experimental CCl4 results were compared with theoretical CCl4 results obtained using the Xα multiple scattering formalism. Theory predicts the existence of two strong shape resonances in each of the valence orbitals of CCl4. The overall agreement between experiment and theory is evaluated along with the experimental evidence concerning the verification of the predicted shape resonances. |
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| Keywords: | To whom correspondence should be addressed |
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