Abstract
The far-infrared spectra of palladium and platinum halide complexes, MX42- and M2X62-, have been studied for the first time using ab initio restricted Hartree−Fock method with the LANL2DZ basis set. The calculated vibrational frequencies, scaled with a uniform factor of 1.12, are in good agreement with the measured values. Moreover, some vibrational frequencies are predicted for palladium and platinum complexes that are difficult to measure.
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