Photodissociation spectroscopy of (benzene-toluene)+. Charge delocalization in the hetero-dimer ion

Chemical physics Volume 239 Issue 1–3 Page 429-436 published_at 1998-12-15

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Title ( eng )	Photodissociation spectroscopy of (benzene-toluene)+. Charge delocalization in the hetero-dimer ion
Creator	Ohashi Kazuhiko Nakane Youko Inokuchi Yoshiya Nakai Yasuhiro Nishi Nobuyuki
Source Title	Chemical physics
Volume	239
Issue	1–3
Start Page	429
End Page	436
Abstract	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←πtransition 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 %.
Descriptions	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
NDC	Chemistry [ 430 ]
Language	eng
Resource Type	journal article
Publisher	Elsevier B.V.
Date of Issued	1998-12-15
Rights	(c) 1998 Elsevier Science B.V. All rights reserved.
Publish Type	Author’s Original
Access Rights	open access
Source Identifier	[ISSN] 0301-0104 [NCID] AA00602111 [DOI] 10.1016/S0301-0104(98)00313-9 [DOI] http://doi.org/10.1016/S0301-0104(98)00313-9 isVersionOf