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2-, and e-symmetry components of ν(MoP) are much smaller than are those among the ν(MoX) modes. The apparent lack of a frequency shift of this band upon deliberation arises because the band is too weak for the maximum to be reliably identified.
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60
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Because of the severe mixing among Mo - I stretching and bending modes that is indicated by the calculation, a fully adequate fit to the experimental spectra would require reoptimization of (at least) the eight force constants that involve halide motion; this is beyond the scope of this work.
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