Force constant calculations for octahedral complexes of the type M(CO)5L, based on the CO-factored force field

Using the maximum value of the sum of the interaction constants, the CO-factored force field of octahedral M(CO)5L molecules was solved to give the relations which allow direct calculation of force constants from CO stretching frequencies of the all-12C16O molecule. The force constants calculated by these relations were used to predict CO stretching frequencies of isotopically enriched species of some complexes of the type M(CO)5L. The results obtained showed that there exists a very good agreement between observed and calculated frequencies. This led us to conclude that the solution presented for the force field of M(CO)5L molecules is a valid solution.