title: Transient resonance Raman and density functional theory investigation of the 4-acetamidophenylnitrenium ion.
abstract: This paper reports a transient resonance Raman and density functional theory study of the 4-acetamidophenylnitrenium ion in a mostly aqueous solvent. The transient Raman bands combined with results from density functional theory calculations indicate that the spectrum should be assigned to the singlet state of the 4-acetamidophenylnitrenium ion. The 4-acetamidophenylnitrenium ion was found to have a substantial iminocyclohexadienyl character comparable to previously studied para-phenyl-substituted phenylnitrenium ions and noticeable charge on both the acetamido and nitrenium moieties. The structure and properties of the 4-acetamidophenylnitrenium ion are compared to those of other arylnitrenium ions. We briefly discuss the chemical reactivity and selectivity of the para-acetamido-substituted phenylnitrenium ions compared to para-phenyl- or para-alkoxy-substituted phenylnitrenium ions.
authors.affiliation: Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong S. A. R., P. R. China.
authors.forename: Pik Ying
authors.initials: PY
authors.lastname: Chan
authors.forename: Shing Yau
authors.initials: SY
authors.lastname: Ong
authors.forename: Peizhi
authors.initials: P
authors.lastname: Zhu
authors.forename: King Hung
authors.initials: KH
authors.lastname: Leung
authors.forename: David Lee
authors.initials: DL
authors.lastname: Phillips