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Charge Delocalization in Benzene-Naphthalene Hetero-Dimer Cation Matsumoto, Masaki Matsumoto Masaki Inokuchi, Yoshiya Inokuchi Yoshiya Ohashi, Kazuhiko Ohashi Kazuhiko Nishi, Nobuyuki Nishi Nobuyuki open access Copyright (c) 1997 American Chemical Society 430 The electronic spectrum of the benzene–naphthalene hetero-dimer cation is measured in the 400–1200 nm region by the photodissociation spectroscopy. Most intense band at 580 nm is assigned to a local excitation (LE) band of the naphthalene cation chromophore. In addition to this band, an LE band of the benzene cation chromophore of the hetero-dimer is observed at nearly the same position (430 nm) as that of the benzene homo-dimer cation. The observation indicates that the positive charge stays on the benzene molecule in some probability, although the ionization potential of benzene is by 1.10 eV higher than that of naphthalene. The spectrum of the hetero-dimer cation also shows an intermolecular charge transfer (CT) band around 920 nm. On the basis of the position of the CT band as well as the intensity of the LE band relative to that of the homo-dimer, the probability of finding the charge on the benzene molecule is analyzed to be approximately 9 %. This work was supported in part by Grant-in-Aid for general research program (07454190) from the Ministry of Education, Science, Sports, and Culture of Japan. This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 1997, available online: http://pubs.acs.org/doi/abs/10.1021/jp9705939. American Chemical Society 1997-06-19 eng journal article AO https://hiroshima.repo.nii.ac.jp/records/2007478 10.1021/jp9705939 http://doi.org/10.1021/jp9705939 1089-5639 Journal of Physical Chemistry A Journal of Physical Chemistry A 101 25 4574 4574 4578 https://hiroshima.repo.nii.ac.jp/record/2007478/files/JPhysChemA_1997_101_4574.pdf 254.8 KB