Electronic structures of cobalt cluster cations: Photodissociation spectroscopy of Con+Ar (n = 3-5) in the visible to near-infrared range

Shinichirou Minemoto, Akira Terasaki, Tamotsu Kondow

Research output: Contribution to journalArticlepeer-review

27 Citations (Scopus)


Photodissociation spectra of cobalt cluster ion-argon atom complexes, Con+Ar (n = 3-5), were measured by detecting the product ions, Con+ and Con-1+, with a tunable laser pulse from an optical parametric oscillator in the photon-energy range from 0.7 to 2.8 eV. The photodissociation spectra thus obtained are equivalent to the optical absorption spectra of the underlying cobalt cluster ions, Con+, because the argon atom is weakly bound to Con+. The spectrum was analyzed by means of a spin-polarized DV-Xα calculation, and the electronic and the geometric structures of Co3+ and Co4+ were determined. The analysis shows that all the transitions in the entire energy range studied occur between occupied and unoccupied energy levels associated with 3d atomic orbitals (AOs) having the minority spin. The spin difference (difference in population per Co atom between the majority and the minority spins) was evaluated from the electronic structures thus obtained. The spin differences of 2.00 for Co3+ and 1.75 for Co4+ indicate ferromagnetic spin coupling in these cobalt cluster ions.

Original languageEnglish
Pages (from-to)5770-5775
Number of pages6
JournalJournal of Chemical Physics
Issue number15
Publication statusPublished - Jan 1 1996
Externally publishedYes

All Science Journal Classification (ASJC) codes

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


Dive into the research topics of 'Electronic structures of cobalt cluster cations: Photodissociation spectroscopy of Co<sub>n</sub><sup>+</sup>Ar (n = 3-5) in the visible to near-infrared range'. Together they form a unique fingerprint.

Cite this