Electronic structure of vanadium tetramer ion studied by optical absorption spectroscopy

Shinichirou Minemoto, Akira Terasaki, Hideo Imoto, Tamotsu Kondow

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The optical absorption spectrum of a vanadium tetramer ion, V 4 + , was obtained by measuring a photodissociation efficiency of an ion complex, V 4 + Ar, as a function of the photon energy of the laser pulse used for the photodissociation. The optical absorption spectrum thus obtained was simulated by a density functional calculation to search for the most probable geometric structure which reproduces the measured spectrum. The analysis showed that V 4 + is most likely to have a "distorted" tetrahedral structure with C 2v symmetry. The ground electronic state of V 4 + was found to be a low spin state, 2 A 1 . The relatively broad spectral profile is explained in terms of the distortion related to a low-energy vibration. Geometry optimization of the Amsterdam density functional (ADF) calculation also predicts C 2v symmetry for the structure of V 4 + .

Original languageEnglish
Pages (from-to)9737-9743
Number of pages7
JournalJournal of Chemical Physics
Issue number22
Publication statusPublished - Dec 1 1998
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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