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

Research output: Contribution to journalArticle

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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

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Photodissociation
Solvation
Ammonia
Isomers
photodissociation
solvation
ammonia
isomers
Spectroscopy
Ions
Infrared radiation
Molecules
planar structures
spectroscopy
Density functional theory
molecules
ions
infrared spectra
density functional theory
Experiments

All Science Journal Classification (ASJC) codes

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

Cite this

Coordination and solvation of V + with ammonia molecules : Infrared photodissociation spectroscopy of V +(NH 3) n (n = 4-8). / Koga, Nobuhiro; Ohashi, Kazuhiko; Furukawa, Kazuki; Imamura, Toshitaka; Judai, Ken; Nishi, Nobuyuki; Sekiya, Hiroshi.

In: Chemical Physics Letters, Vol. 539-540, 29.06.2012, p. 1-6.

Research output: Contribution to journalArticle

Koga, Nobuhiro ; Ohashi, Kazuhiko ; Furukawa, Kazuki ; Imamura, Toshitaka ; Judai, Ken ; Nishi, Nobuyuki ; Sekiya, Hiroshi. / Coordination and solvation of V + with ammonia molecules : Infrared photodissociation spectroscopy of V +(NH 3) n (n = 4-8). In: Chemical Physics Letters. 2012 ; Vol. 539-540. pp. 1-6.
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AU - Imamura, Toshitaka

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