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Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad

Sun, Mengtao LU ; Song, P ; Chen, Yuehui and Ma, Fencai (2005) In Chemical Physics Letters 416(1-3). p.94-99
Abstract
Intramolecular charge transfer (ICT) in porphyrin-oligothiophene-fullerene triad was reported experimentally [J. Ikemoto, K. Takimiya, Y. Aso. T. Otsubo, M. Fujitsuka, O. Ito, Org. Lett. 4 (2002) 309], and the weak distance dependence of the oligothiophene spacer was found. In this Letter, ICT in this triad is theoretically investigated with quantum chemistry method as well as the 2D and 3D real space analysis methods. The calculated transition energies and oscillator strengths are consistent with the experimental data. The theoretical analysis with 2D and 3D real space analysis reveal that there are two ICT mechanisms. The experimental weak distance dependence of the oligothiophene spacer is benefitted from the superexchange mechanism.... (More)
Intramolecular charge transfer (ICT) in porphyrin-oligothiophene-fullerene triad was reported experimentally [J. Ikemoto, K. Takimiya, Y. Aso. T. Otsubo, M. Fujitsuka, O. Ito, Org. Lett. 4 (2002) 309], and the weak distance dependence of the oligothiophene spacer was found. In this Letter, ICT in this triad is theoretically investigated with quantum chemistry method as well as the 2D and 3D real space analysis methods. The calculated transition energies and oscillator strengths are consistent with the experimental data. The theoretical analysis with 2D and 3D real space analysis reveal that there are two ICT mechanisms. The experimental weak distance dependence of the oligothiophene spacer is benefitted from the superexchange mechanism. (c) 2005 Elsevier B.V. All rights reserved. (Less)
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type
Contribution to journal
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published
subject
in
Chemical Physics Letters
volume
416
issue
1-3
pages
94 - 99
publisher
Elsevier
external identifiers
  • wos:000233687000019
  • scopus:32044469745
ISSN
0009-2614
DOI
10.1016/j.cplett.2005.09.067
language
English
LU publication?
yes
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The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
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e65d327a-ff58-422f-bb48-bf7855cdf7ad (old id 151796)
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2016-04-01 16:49:44
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@article{e65d327a-ff58-422f-bb48-bf7855cdf7ad,
  abstract     = {Intramolecular charge transfer (ICT) in porphyrin-oligothiophene-fullerene triad was reported experimentally [J. Ikemoto, K. Takimiya, Y. Aso. T. Otsubo, M. Fujitsuka, O. Ito, Org. Lett. 4 (2002) 309], and the weak distance dependence of the oligothiophene spacer was found. In this Letter, ICT in this triad is theoretically investigated with quantum chemistry method as well as the 2D and 3D real space analysis methods. The calculated transition energies and oscillator strengths are consistent with the experimental data. The theoretical analysis with 2D and 3D real space analysis reveal that there are two ICT mechanisms. The experimental weak distance dependence of the oligothiophene spacer is benefitted from the superexchange mechanism. (c) 2005 Elsevier B.V. All rights reserved.},
  author       = {Sun, Mengtao and Song, P and Chen, Yuehui and Ma, Fencai},
  issn         = {0009-2614},
  language     = {eng},
  number       = {1-3},
  pages        = {94--99},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad},
  url          = {http://dx.doi.org/10.1016/j.cplett.2005.09.067},
  doi          = {10.1016/j.cplett.2005.09.067},
  volume       = {416},
  year         = {2005},
}