“The Infrared and Raman spectra of tetrachlorophosphonium(V) oxotetrachlorovanadate(V),

M. L. ROLDÁN; H. LANÚS; S. A. BRANDÁN; J. J. LÓPEZ; E. L. VARETTI; A. BEN ALTABEF

Journal of the Argentine Chemical Society

Asociación Química Argentina

Lugar: Buenos Aires; Año: 2004 vol. 92 p. 53 - 61

0365-0375

Infrared and Raman spectra were obtained for tetrachlorophosphonium (V) oxotetrachlorovanadate (V), PCl4VOCl4, and a complementary quantum chemistry theoretical study was made for both ions. The molecular structures of the PCl4 + and VOCl4 - - + and VOCl4 - - theoretical study was made for both ions. The molecular structures of the PCl4 + and VOCl4 - - + and VOCl4 - - 4VOCl4, and a complementary quantum chemistry theoretical study was made for both ions. The molecular structures of the PCl4 + and VOCl4 - - + and VOCl4 - - 4 + and VOCl4 - - and VOCl4 - ions were optimised by means of ab-initio and Density Functional Theory, using different basis sets. Such structures present the expected Td symmetry for PCl4 + and C4v symmetry for VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. + and C4v symmetry for VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. d symmetry for PCl4 + and C4v symmetry for VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and C4v symmetry for VOCl4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. 4 -. The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. . The wavenumbers corresponding to the normal modes of vibration were calculated and used to confirm the spectral band assignments. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers.