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

16 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

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

Fingerprint Dive into the research topics of 'Maximum Spin Polarization in Chromium Dimer Cations as Demonstrated by X-ray Magnetic Circular Dichroism Spectroscopy'. Together they form a unique fingerprint.

  • Cite this

    Zamudio-Bayer, V., Hirsch, K., Langenberg, A., Niemeyer, M., Vogel, M., Ławicki, A., Terasaki, A., Lau, J. T., & 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