Potential Constants of Iron Pentacarbonyl from Vibrational Spectra of Isotopic Species

Abstract

The vibrational spectra of Fe(12C16O)5, Fe(13C16O)5, and Fe(12C18O)5 have been observed. Most of the fundamentals have been assigned, with some changes from earlier results in the literature. Potential constants have been calculated by constraining many of the interaction constants to values estimated from analogous constants of the hexacarbonyls. The results indicate that the axial CO bonds are stronger than the equatorial CO bonds. This implies that the axial MC bonds are weaker than the equatorial MC bonds, though the calculated MC potential constants are not significantly different.