Vibrational anharmonicity and reorientational dynamics of SO42− anions isolated in an Ag2SeO4 matrix

摘要: Abstract Room and low-temperature (∼100 K) FT-IR spectra of sulfate anions isolated in Ag2SeO4 matrix were recorded. The anharmonicity constants harmonic vibrational frequencies for the ν3 ν4 internal modes dopant calculated, on basis measured fundamental second-order transitions. appearance IR spectrum studied species may be explained terms D2d effective symmetry. According to magnitude splitting anions, bond length distortion impurities is lower, angular significantly higher than all other matrices so far. OSO angles calculated from ratio intensities B2 E mode components are 111.6 108.4°. Using transition dipole moment time correlation function approach, period essentially “undisturbed” rotational motion about pseudo-C2 axes estimated approximately 0.035 ps.