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, Akira Terasaki, B. V. Issendorff, J. T. Lau

Research output: Contribution to journalArticle

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Abstract

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.

Original languageEnglish
Article number244318
JournalJournal of Chemical Physics
Volume143
Issue number24
DOIs
Publication statusPublished - Dec 28 2015

Fingerprint

Circular dichroism spectroscopy
x ray absorption
Ground state
dichroism
X rays
ground state
Transition Elements
electronics
spectroscopy
x rays
Angular momentum
diatomic molecules
Cryogenics
configuration interaction
cryogenics
Density functional theory
Cations
angular momentum
transition metals
Ions

All Science Journal Classification (ASJC) codes

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

Cite this

Electronic ground states of Fe 2 + and Co 2 + as determined by x-ray absorption and x-ray magnetic circular dichroism spectroscopy. / Zamudio-Bayer, V.; Hirsch, K.; Langenberg, A.; Lawicki, A.; Terasaki, Akira; Issendorff, B. V.; Lau, J. T.

In: Journal of Chemical Physics, Vol. 143, No. 24, 244318, 28.12.2015.

Research output: Contribution to journalArticle

Zamudio-Bayer, V. ; Hirsch, K. ; Langenberg, A. ; Lawicki, A. ; Terasaki, Akira ; Issendorff, B. V. ; Lau, J. T. / Electronic ground states of Fe 2 + and Co 2 + as determined by x-ray absorption and x-ray magnetic circular dichroism spectroscopy. In: Journal of Chemical Physics. 2015 ; Vol. 143, No. 24.
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