Electron Transfer and Radical Cation Reactions of Model Coal Compounds. Final Report April 1, 1985-April 30, 1988

摘要

The report describes an investigation of the reactions of coal-related aryl-alkyl molecules by radical cation pathways. Mechanisms of radical cation reactions were elucidated from product studies of Cu(II)-peroxydisulfate oxidations, rate constants for electron transfer and radical cation reactions were determined from the kinetics of pyridine-promoted tris(phenanthroline)-iron(III) oxidations, and bond dissociation energies (BDE) and structures of radical cations were calculated by semiempirical molecular orbital theory (AM1). Effects of media, aryl structure and alkyl structure on the reactions of radical cations, i.e. nucleophilic addition, deprotonation and side chain C-C bond scission, are discussed in light of stated findings.