Electronic ground states of Fe 2 + and Co 2 + as determined by x-ray absorption and x-ray magnetic circular dichroism spectroscopy

V. Zamudio-Bayer, K. Hirsch, A. Langenberg, A. Lawicki, A. Terasaki, B. V. Issendorff, J. T. Lau

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The 6Π electronic ground state of the Co 2 + diatomic molecular cation has been assigned experimentally by x-ray absorption and x-ray magnetic circular dichroism spectroscopy in a cryogenic ion trap. Three candidates, 6Φ, 8Φ, and 8Γ, for the electronic ground state of Fe 2 + have been identified. These states carry sizable orbital angular momenta that disagree with theoretical predictions from multireference configuration interaction and density functional theory. Our results show that the ground states of neutral and cationic diatomic molecules of 3d transition elements cannot generally be assumed to be connected by a one-electron process.

元の言語英語
記事番号244318
ジャーナルJournal of Chemical Physics
143
発行部数24
DOI
出版物ステータス出版済み - 12 28 2015

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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