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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 34, Number 5
BKCSDE 34(5)
May 20, 2013 

Anion Photoelectron Spectroscopy and Theoretical Calculation of the Hetero-dimers of Polycyclic Aromatic Hydrocarbons
Namdoo Kim*, Sang Hak Lee*
Anion photoelectron spectroscopy, Polycyclic aromatic hydrocarbon, π-hydrogen interaction, Dispersion force
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 π-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.
1441 - 1444
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