Intramolecular charge transfer and locally excited states of the fullerene-linked quarter-thiophenes dyad
(2005) In Chemical Physics Letters 413(1-3). p.110-117- Abstract
- The ground and the excited state properties of the fullerene-linked quarter-thiophenes dyad were studied theoretically with the quantum chemistry method. To reveal the excited state properties of them in the vertical absorption process, the energies and densities of the HOMO and LUMO, the intramolecular charge transfer (ICT), locally excited (LE) are studied with transition density matrix, charge difference density and the off-resonant and resonant non-linear polarizabilities. The conclusion is drawn that there are also some intramolecular charge transfer (ICT) excited states, which result from large data of off-resonant and the resonant nonlinear polarizabilities in the vertical absorption process. (c) 2005 Elsevier B.V. All rights... (More)
- The ground and the excited state properties of the fullerene-linked quarter-thiophenes dyad were studied theoretically with the quantum chemistry method. To reveal the excited state properties of them in the vertical absorption process, the energies and densities of the HOMO and LUMO, the intramolecular charge transfer (ICT), locally excited (LE) are studied with transition density matrix, charge difference density and the off-resonant and resonant non-linear polarizabilities. The conclusion is drawn that there are also some intramolecular charge transfer (ICT) excited states, which result from large data of off-resonant and the resonant nonlinear polarizabilities in the vertical absorption process. (c) 2005 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/151840
- author
- Sun, Mengtao LU ; Chen, Yuehui ; Song, Peng and Ma, Fengcai
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Chemical Physics Letters
- volume
- 413
- issue
- 1-3
- pages
- 110 - 117
- publisher
- Elsevier
- external identifiers
-
- wos:000231929400021
- scopus:24344432034
- ISSN
- 0009-2614
- DOI
- 10.1016/j.cplett.2005.07.070
- 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
- bb898d0d-12df-45a0-838c-ecf45047597d (old id 151840)
- date added to LUP
- 2016-04-01 16:21:12
- date last changed
- 2022-01-28 19:06:48
@article{bb898d0d-12df-45a0-838c-ecf45047597d, abstract = {{The ground and the excited state properties of the fullerene-linked quarter-thiophenes dyad were studied theoretically with the quantum chemistry method. To reveal the excited state properties of them in the vertical absorption process, the energies and densities of the HOMO and LUMO, the intramolecular charge transfer (ICT), locally excited (LE) are studied with transition density matrix, charge difference density and the off-resonant and resonant non-linear polarizabilities. The conclusion is drawn that there are also some intramolecular charge transfer (ICT) excited states, which result from large data of off-resonant and the resonant nonlinear polarizabilities in the vertical absorption process. (c) 2005 Elsevier B.V. All rights reserved.}}, author = {{Sun, Mengtao and Chen, Yuehui and Song, Peng and Ma, Fengcai}}, issn = {{0009-2614}}, language = {{eng}}, number = {{1-3}}, pages = {{110--117}}, publisher = {{Elsevier}}, series = {{Chemical Physics Letters}}, title = {{Intramolecular charge transfer and locally excited states of the fullerene-linked quarter-thiophenes dyad}}, url = {{http://dx.doi.org/10.1016/j.cplett.2005.07.070}}, doi = {{10.1016/j.cplett.2005.07.070}}, volume = {{413}}, year = {{2005}}, }