Phenanthrene is studied by photodetachment-photoelectron spectroscopy. Due to the absence of a parent ion peak in the anion mass spectrum the electron affinity could not be detd. directly. However, this absence is the first indication that this mol. has a neg. electron affinity. The first three water complexes of phenanthrene were studied, supplying insights into its microsolvation property. Moreover, the electron affinity of the bare mol. could be detd. to be -0.01±0.04 eV by an extrapolation method using the water cluster data. The exptl. work is supported by ab initio calcns. for detg. the structure of the water complexes. Finally a correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons is investigated. [on SciFinder(R)]     «

Phenanthrene is studied by photodetachment-photoelectron spectroscopy. Due to the absence of a parent ion peak in the anion mass spectrum the electron affinity could not be detd. directly. However, this absence is the first indication that this mol. has a neg. electron affinity. The first three water complexes of phenanthrene were studied, supplying insights into its microsolvation property. Moreover, the electron affinity of the bare mol. could be detd. to be -0.01±0.04 eV by an extrapolation m...     »

Density functional theory (B3LYP B3LYP calcd. structure of phenanthrene monohydrate) Polycyclic compounds Role: PRP (Properties) (arom. hydrocarbons correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons) Reduction potential (correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons) Electron affinity Electron photodetachment Photoelectron spectra Van der Waals clusters Water of hydration (electron affinity of phenanthrene) Dissociative electron capture Mass spectra (mass spectra of phenanthrene) Molecular structure (optimized B3LYP calcd. structure of phenanthrene monohydrate) Aromatic hydrocarbons Role: PRP (Properties) (polycyclic correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons) electron affinity phenanthrene photodetachment photoelectron spectroscopy     «

Density functional theory (B3LYP B3LYP calcd. structure of phenanthrene monohydrate) Polycyclic compounds Role: PRP (Properties) (arom. hydrocarbons correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons) Reduction potential (correlation between the electron affinity and the redn. potential of polycyclic arom. hydrocarbons) Electron affinity Electron photodetachment Photoelectron spectra Van der Waals clusters Water of hydration (electron affinity of p...     »