Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad
(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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https://lup.lub.lu.se/record/151796
- author
- Sun, Mengtao LU ; Song, P ; Chen, Yuehui and Ma, Fencai
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- 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
- additional info
- 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)
- id
- e65d327a-ff58-422f-bb48-bf7855cdf7ad (old id 151796)
- date added to LUP
- 2016-04-01 16:49:44
- date last changed
- 2022-04-15 07:21:28
@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}}, }