Magnetic vibrational circular dichroism of transition metal hexacarbonyls

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Abstract
The magnetic vibrational circular dichroism (MVCD) of three neutral metal hexacarbonyls, M(CO)6(M=Cr, MO, W), is reported in the C≡O stretching and its first overtone regions. The spectra observed are dominated by large A terms in both regions. An attempt to correlate these results with those of calculations based on the Laux et al. empirical charge model was not successful. However, we have found that the A and B terms measured are consistent with a parametrized model based on vibronic coupling of the ground and lowest excited states.