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.