Selection rules for catalysis in symmetry-forbidden reactions

✍ Scribed by Ricardo Ferreira

• Publisher: Elsevier Science
• Year: 1976
• Tongue: English
• Weight: 297 KB
• Volume: 41
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(76)80832-9

✦ Synopsis

Selection rules for catalytic activity in symmetry-forbidden reactions are derived from perturbation theory. In the framework of the frontier orbital approximation the catalyst perturbation potential for bimolecular processes must contain the direct product of the representations of the HO&l0 of reagent Q and of the LUMO of reagent g_ In the case of unimolecular processes the catalyst perturbation potential must contain the direct product of the representations of (HO_MO),, (LUMO)P and Q, where Q is the distortion coordinate. In all cases the point group should be that of the transition state. * Work supported in part by CNFq and BNDE (Brazilian Agencies).