Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Anion Photoelectron Spectroscopy and Theoretical Calculation of the Hetero-dimers of Polycyclic Aromatic Hydrocarbons

  • Kim, Namdoo (Department of Chemistry, Seoul National University) ;
  • Lee, Sang Hak (Department of Chemistry, Seoul National University)
  • Received : 2013.02.05
  • Accepted : 2013.02.15
  • Published : 2013.05.20
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Abstract

Hetero-dimer anions of naphthalene (Np), anthracene (An), phenanthrene (Ph) and pyrene (Py) were investigated using the time-of-flight mass spectrometer (TOF-MS), anion photoelectron spectroscopy (PES) and theoretical calculation. There are two possible geometries with their electron affinity (EA) difference: parallel displaced (PD) and T-shaped. Dispersion force plays a key role in PD structure with the formation of a new anionic core while ${\pi}$-hydrogen interaction plays a key role in T-shaped structure with the monomer anionic core. The optimized structures and charge distributions can simply be explained by the relative difference of EA.

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