Comparative vapour phase FTIR spectra and vibrational assignment of manganese pentacarbonyls derivatives of the type XMn(CO)5: (where X=Br, Cl, I, H, D, CH3, CD3, CF3)

The infrared spectra of pure Mn(CO)5X in the region 4000–400 cm−1 has been obtained in the vapour phase. The observed spectrum has been analyzed to distinguish the fundamental frequencies, the rotational–vibrational and structure, and overtone and combination frequencies. The assignment of the observed vapour phase frequencies to the fundamental modes of vibration has been made on C4V symmetry. The weak peaks due to XMn(CO)4(13CO) molecules have been measured and assigned for all molecules. This study provides a comprehensive comparison of these compounds, with all of these data the assignment of frequencies is reviewed and a set of quite unambiguous assignments made. The significant finding in this regards are that, it is not necessary to assume lower than C4V symmetry for XMn(CO)5 as has been done in previous consideration of some infrared spectrum of these compounds.