Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8): Coordinative saturation of V+ with four H2O molecules

Jun Sasaki, Kazuhiko Ohashi, Kazuya Inoue, Toshitaka Imamura, Ken Judai, Nobuyuki Nishi, Hiroshi Sekiya

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14 Citations (Scopus)

Abstract

The V+(H2O)n ions with n = 2-8 are studied by infrared (IR) photodissociation spectroscopy. The IR spectra indicate that H2O molecules are allowed to bind directly to V+ until the completion of a 4-coordinated structure and additional molecules are forced to occupy outer solvation shells. Density functional theory calculations suggest that one empty orbital in V+ (3d4) before coordination can be identified with the 3 dx2 - y2 orbital, which provides four sites of lower electron density along the x and y axes. This results in a strong interaction with only four H2O molecules, and thus, a stable square-planar V+(H2O)4 complex.

Original languageEnglish
Pages (from-to)36-40
Number of pages5
JournalChemical Physics Letters
Volume474
Issue number1-3
DOIs
Publication statusPublished - May 25 2009

All Science Journal Classification (ASJC) codes

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

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