Photodissociation spectroscopy of (benzene-toluene)+. Charge delocalization in the hetero-dimer ion
Chem_Phys_1998_239_429.pdf 199 KB
The electronic spectrum of the benzene–toluene hetero-dimer ion is measured in the 380–1400 nm region. The spectrum shows intense bands around 1175 and 670 nm and a weaker band around 920 nm, which correspond to charge resonance (CR) bands of homodimer ions. The observation indicates that the positive charge stays on the benzene part in some probability, although the ionization potential of benzene is 0.4162 eV higher than that of toluene. A local excitation band (LE) is observed around 420 nm, where a π←πtransition is locally excited in the charged benzene or toluene molecule. On the basis of the position of the CR-like bands as well as the intensity of the LE band relative to that of homo-dimer ions, the probability of finding the charge on the benzene molecule is analyzed to be approximately 36 %.
This work was supported in part by a Grant-in-Aid for research program (07740465) from the Ministry of Education, Science, Sports and Culture of Japan.
This is a postprint of an article published by Elsevier B.V. in Chemical physics, 1998, available online: http://doi.org/10.1016/S0301-0104(98)00313-9
(c) 1998 Elsevier Science B.V. All rights reserved.