Coordination and solvation of V + with ammonia molecules: Infrared photodissociation spectroscopy of V +(NH 3) n (n = 4-8)

Nobuhiro Koga, Kazuhiko Ohashi, Kazuki Furukawa, Toshitaka Imamura, Ken Judai, Nobuyuki Nishi, Hiroshi Sekiya

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2 Citations (Scopus)

Abstract

The V +(NH 3) n ions with n = 4-8 are studied by infrared (IR) photodissociation spectroscopy in the NH-stretch region with the aid of density functional theory calculations. The calculations predict a square-planar coordination of V + for the n = 4 ion. In the IR spectra of n ≥ 5, red-shifted features emerge in the 3050-3300 cm -1 region; overall spectral features agree well with those predicted for isomers with the square-planar coordination. A 6-coordinated isomer of n = 6 is computed to be more stable than the square-planar structures, but the latter are actually observed in the experiment.

Original languageEnglish
Pages (from-to)1-6
Number of pages6
JournalChemical Physics Letters
Volume539-540
DOIs
Publication statusPublished - Jun 29 2012

All Science Journal Classification (ASJC) codes

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

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