A molecular-orbital approach to the development of vibrational potential functions: CO force constant and stretch-stretch interaction constants for metal hexacarbonyls

Abstract

From a consideration of the molecular-orbitals of carbon monoxide it is shown that the observed CO force constants of the metal carbonyls indicate considerable metal-carbon pi bonding. The seven stretch-stretch interaction constants of the metal hexacarbonyls of octahedral symmetry have been reduced to three constants using a molecular-orbital development. The results are the same as those derived by the author using a valence-bond approach.