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- W2005152863 abstract "Abstract The far-infrared spectra of a number of hexakis(pyridine-N-oxide)metal(II) complexes are simulated by means of normal coordinate analysis of M(ON)6 models with point group S6. Contrary to earlier calculations ligand torsions about the NO bond are included in the model. A simplified valence-force field with six force constants and one interaction parameter is refined for Fe, Co, Ni and Cu salts. 64Ni isotope shifts are compared with the experimental data. The mean difference of νcalc and νobs is 5 cm−1. Earlier assignments of the MO stretch vibration are confirmed by this study. The assignments of other low-frequency vibrations are correlated with the radial and angular distribution around the metal atom. This leads to the conclusion that the δ (OMO) deformations are anion-dependent and occur at low frequencies (40–75 cm−1). Calculated frequencies of Raman-active modes are compared with experimental and literature data." @default.
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- W2005152863 date "1977-01-01" @default.
- W2005152863 modified "2023-09-27" @default.
- W2005152863 title "Model calculations of the far-infrared spectra of hexakis (pyridine-N-oxide) metal(II) complexes" @default.
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- W2005152863 doi "https://doi.org/10.1016/0584-8539(77)80084-6" @default.
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