Accession Number : AD0781291

Title :   Investigation of the Metal Carbonyl Bonding Problem by Pattern Recognition.

Descriptive Note : Technical rept. no. 1, Apr-Jun 74,

Corporate Author : WASHINGTON UNIV SEATTLE LAB FOR CHEMOMETRICS

Personal Author(s) : Dierdorf,Douglas S. ; Kowalski,Bruce R.

Report Date : JUN 1974

Pagination or Media Count : 26

Abstract : The application of pattern recognition techniques is expanded to the analysis of bonding models. Supervised learning techniques are used to compare sigma and pi models of bonding in metal carbonyl systems. The three symmetry allowed C = O stretching frequencies and six other ligand and metal properties for each of 67 compounds of the type L - M(CO)5 provide evidence strongly supporting a sigma bonding model to explain variations in carbonyl stretching frequencies. Unsupervised learning techniques provide evidence that both models are inadequate but that carbonyl stretching frequencies may be predicted from simple ligand and metal properties. (Author)

Descriptors :   *Chemical bonds, *Pattern recognition, *Metal carbonyls, Spectrum analysis, Molecular vibration, Metal complexes, Ligands

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE