Normal coordinate analysis for the whole molecule of DIBENZENECHROMIUM (cas 1271-54-1)
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Add time:08/13/2019 Source:sciencedirect.com
Normal coordinate analysis of molecular vibrations was performed for (C6H6)2Cr assuming D6h symmetry. Some frequency shifts from free to complexed benzene are explained by kinematic couplings without violation of the force field for ligand vibrations. Calculated mean amplitudes from the final harmonic force field show excellent agreement with electron diffraction data.
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