Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy

Vicente Zamudio-Bayer, Konstantin Hirsch, Andreas Langenberg, Markus Niemeyer, Marlene Vogel, Arkadiusz Ławicki, Akira Terasaki, J. Tobias Lau, Bernd Von Issendorff

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

X-ray magnetic circular dichroism spectroscopy has been used to characterize the electronic structure and magnetic moment of Cr2+. Our results indicate that the removal of a single electron from the 4sσg bonding orbital of Cr2 drastically changes the preferred coupling of the 3d electronic spins. While the neutral molecule has a zero-spin ground state with a very short bond length, the molecular cation exhibits a ferromagnetically coupled ground state with the highest possible spin of S=11/2, and almost twice the bond length of the neutral molecule. This spin configuration can be interpreted as a result of indirect exchange coupling between the 3d electrons of the two atoms that is mediated by the single 4s electron through a strong intraatomic 3d-4s exchange interaction. Our finding allows an estimate of the relative energies of two states that are often discussed as ground-state candidates, the ferromagnetically coupled 12Σ and the low-spin 2Σ state. The removal of a single electron from the 4sσg bonding orbital of Cr2 fully localizes all the 3d electrons and drastically changes the preferred coupling of their spins. The molecular cation exhibits a ferromagnetically coupled ground state with the highest possible spin of S=11/2, and almost twice the bond length of the neutral molecule. This spin configuration can be interpreted as a result of indirect exchange coupling.

Original languageEnglish
Pages (from-to)4498-4501
Number of pages4
JournalAngewandte Chemie - International Edition
Volume54
Issue number15
DOIs
Publication statusPublished - Apr 7 2015

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Circular dichroism spectroscopy
Spin polarization
Chromium
Dimers
Cations
Positive ions
Ground state
Bond length
X rays
Electrons
Exchange coupling
Molecules
Exchange interactions
Magnetic moments
Electronic structure
Atoms

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

Cite this

Zamudio-Bayer, V., Hirsch, K., Langenberg, A., Niemeyer, M., Vogel, M., Ławicki, A., ... Von Issendorff, B. (2015). Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy. Angewandte Chemie - International Edition, 54(15), 4498-4501. https://doi.org/10.1002/anie.201411018

Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy. / Zamudio-Bayer, Vicente; Hirsch, Konstantin; Langenberg, Andreas; Niemeyer, Markus; Vogel, Marlene; Ławicki, Arkadiusz; Terasaki, Akira; Lau, J. Tobias; Von Issendorff, Bernd.

In: Angewandte Chemie - International Edition, Vol. 54, No. 15, 07.04.2015, p. 4498-4501.

Research output: Contribution to journalArticle

Zamudio-Bayer, V, Hirsch, K, Langenberg, A, Niemeyer, M, Vogel, M, Ławicki, A, Terasaki, A, Lau, JT & Von Issendorff, B 2015, 'Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy', Angewandte Chemie - International Edition, vol. 54, no. 15, pp. 4498-4501. https://doi.org/10.1002/anie.201411018
Zamudio-Bayer, Vicente ; Hirsch, Konstantin ; Langenberg, Andreas ; Niemeyer, Markus ; Vogel, Marlene ; Ławicki, Arkadiusz ; Terasaki, Akira ; Lau, J. Tobias ; Von Issendorff, Bernd. / Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy. In: Angewandte Chemie - International Edition. 2015 ; Vol. 54, No. 15. pp. 4498-4501.
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