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

研究成果: Contribution to journalArticle査読

27 被引用数 (Scopus)

抄録

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.

本文言語英語
ページ(範囲)5770-5775
ページ数6
ジャーナルJournal of Chemical Physics
104
15
DOI
出版ステータス出版済み - 1 1 1996
外部発表はい

All Science Journal Classification (ASJC) codes

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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