Photoionization of carbon disulfide: theoretical studies of outer-valence-shell partial cross sections |
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| Institution: | 1. Department of Chemistry, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan;2. Foundation for Computational Science, FOCUS, 7-1-28 Minatojima-Minami, Chuo-ku, Kobe 650-0047, Japan;3. Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany;4. Institute of Theoretical Chemistry, Jilin University, 2 Liutiao Road, Changchun 130023, China;1. Department of Chemistry and Biochemistry, Calvin College, Grand Rapids, MI, United States;1. Universidad Autónoma de Chile, Facultad de Ingeniería, Núcleo de Astroquímica & Astrofísica, Av. Pedro de Valdivia 425, Providencia, Santiago, Chile;2. Georgia Southern University, Department of Chemistry & Biochemistry, Statesboro, GA 30461, USA;3. NASA Ames Research Center, MS 245-3, Moffett Field, CA 94035, USA;4. Department of Chemistry & Biochemistry, University of Mississippi, University, MS 38655-1848, USA |
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| Abstract: | Studies in vertical-electronic, static-exchange approximation are reported of the outer-valence-shell (2πg−1, 2πu−1, 5σu−1, 6σg−1) partial-channel photoionization cross sections of CS2. The origins of strong features present in the calculated profiles, and in corresponding experimental cross sections, are attributed to the 6σu(σ1) and 7σg (σ1) orbitals of Mulliken on basis of Stieltjes orbital diagnostics. |
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