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• W2050481195 abstract "The electronic absorption spectra of carbon dioxide and carbon disulfide have been reexamined. Model potential calculations have been used to calculate the energies of excited states in Rydberg approximation, and (npσ) and (npπ) Rydberg series have been assigned. For both molecules, the lowest excited 1Πg and 1Πu states are identified as Rydberg states. The lowest 1Σu+ state is mainly Rydberg for CO2, but contains some valence character for CS2, There is no evidence for transitions to additional valence states of these symmetries. It is shown that LCAOMO predictions about excited states can be misleading because of near-linear dependencies which arise in multicenter expansions. A consideration of the united atom orbitals for CO2 and CS2 predicts that there should be only the number of low-energy excited states which are found from the spectral analysis." @default.
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• W2050481195 date "1976-02-01" @default.
• W2050481195 modified "2023-10-14" @default.
• W2050481195 title "Rydberg states of carbon dioxide and carbon disulfide" @default.
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• W2050481195 doi "https://doi.org/10.1016/0022-2852(76)90300-3" @default.
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