Electronic and geometric structures of vanadium cluster ions, V+n (n = 3-5), studied by optical absorption spectroscopy

Shinichirou Minemoto, Akira Terasaki, Tamotsu Kondow

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Optical absorption spectra of vanadium cluster ions, V+n, (n = 3-5) were obtained in the IR-UV region by measuring photodissociation action spectra of their argon-atom complexes. The spectra were analyzed with the aid of the density functional theory to obtain their most probable geometric and electronic structures. V+3 was shown to be an isosceles triangular structure with bond lengths of 2.5 Å and the apex angle of 42°. On the other hand, V+5 was found to have a trigonal bipyramid structure with an isosceles basal triangle (two bond lengths of 2.6 Å and the other of 2.2 Å) and a pair of three legs (two of 2.4 Å and the other of 2.2 Å). Analysis of the spin configuration indicates that V+3 and V+5 exhibit high-spin characters (triplet), where the spin magnetic moments at each atomic site couples in an anti-parallel manner. They are in contrast to V+4, which has been shown in our previous study to be in the lowest spin state.

元の言語英語
ページ(範囲)171-178
ページ数8
ジャーナルJournal of Electron Spectroscopy and Related Phenomena
106
発行部数2-3
DOI
出版物ステータス出版済み - 2 2000

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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