Publication : Probing Conformers of Benzene Dimer with Intermolecular Coulombic Decay Spectroscopy
Revue : The Journal of Physical Chemistry A
DOI : 10.1021/acs.jpca.6b09501
Ref : J. Phys. Chem. A 2017, 121, 45?50
Benzene dimer is a prototype to study intermolecular interactions between
aromatic systems. Owing to the weak interactions between the molecules within the
dimer, several conformational geometries are nearly isoenergetic and thus coexist even at
low temperatures. Furthermore, standard spectroscopies are unable to distinguish between
them. In this work, we study the electronic relaxation processes following inner-valence
ionization of benzene and the lowest conformers of benzene dimer. We show that the
kinetic energy distributions of the secondary electrons emitted via two autoionization
mechanisms, namely, the Auger and the intermolecular coulombic decay (ICD) effects,
provide a means to probe the conformers of benzene dimer. The proposed spectroscopy
opens the way to a better characterization of weakly bound molecular clusters.
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