The Photoelectron Spectra of Ni, Pd, Pt-Diallyl

✍ Scribed by Michael C. Böhm; Rolf Gleiter; Christopher D. Batich

• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: German
• Weight: 822 KB
• Volume: 63
• Category: Article
• ISSN: 0018-019X
• DOI: 10.1002/hlca.19800630428

✦ Synopsis

Abstract

The He (I) photoelectron (PE.) spectra of bis (π‐allyl)palladium (2a), bis (π‐allyl)platinum (3a), bis (π‐methallyl)palladium (2b) and bis (π‐methallyl)‐platinum (3b) have been recorded and compared with the PE. spectra of bis (π‐allyl)nickel (1a) and bis (π‐methallyl)nickel (1b). By use of the He (II) PE. spectra 2a, 2b and 3b and correlations between the PE. spectra of 1–3 it is possible to assign the first seven to eight transitions in the PE. spectra of 1–3. In contrast to previous assignments it is shown that the first band in the PE. spectrum of 1a corresponds to the ejection of an electron from 7a~u~, a pure ligand orbital. The assignment proposed is supported by semiempirical calculations of the INDO‐type by considering the relaxation effects explicitly using the ΔSCF and transition operator method.