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.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry