The electronic states of polyfluorene copolymers with alternating donor-acceptor units
(2004) In Journal of Chemical Physics 121(24). p.12613-12617- Abstract
- We calculate the electronic states of the low bandgap polyfluorene-based copolymer DiO-PFDTBT, which consists of alternating 9,9-dioctyl-9H-fluorene and 4,7-di-thiophen-2-ylbenzo[1,2,5]thiadiazole (TBT) units, and compare with the steady-state absorption, emission, and excitation spectrum. Using the semiempirical quantum-chemical (ZINDO) method we can assign the characteristic bands of the "camel-back" absorption spectrum to one charge transfer state at lower energy localized on the TBT unit, and one delocalized excitonic state at higher energy corresponding to the -conjugated electron system. Additional "dark" charge transfer states in the gap between these bands have been revealed. Calculations are also made on the red light emitting... (More)
- We calculate the electronic states of the low bandgap polyfluorene-based copolymer DiO-PFDTBT, which consists of alternating 9,9-dioctyl-9H-fluorene and 4,7-di-thiophen-2-ylbenzo[1,2,5]thiadiazole (TBT) units, and compare with the steady-state absorption, emission, and excitation spectrum. Using the semiempirical quantum-chemical (ZINDO) method we can assign the characteristic bands of the "camel-back" absorption spectrum to one charge transfer state at lower energy localized on the TBT unit, and one delocalized excitonic state at higher energy corresponding to the -conjugated electron system. Additional "dark" charge transfer states in the gap between these bands have been revealed. Calculations are also made on the red light emitting polyfluorene-based copolymer poly(fluorene-co-benzothiadiazole) (F8BT), which contains benzo[1,2,5]thiadiazole instead of TBT. The nature of the electronic states in F8BT and DiO-PFDTBT are found to be qualitatively the same. ©2004 American Institute of Physics. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/141453
- author
- Jespersen, Kim LU ; Beenken, Wichard LU ; Zausjitsyn, Yuri LU ; Yartsev, Arkady LU ; Andersson, Mats ; Pullerits, Tönu LU and Sundström, Villy LU
- organization
- publishing date
- 2004
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 121
- issue
- 24
- pages
- 12613 - 12617
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- wos:000225714500057
- scopus:18844446329
- ISSN
- 0021-9606
- DOI
- 10.1063/1.1817873
- 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
- 706b894c-aac0-4f9a-89f5-caa27d35d137 (old id 141453)
- date added to LUP
- 2016-04-01 12:14:37
- date last changed
- 2022-04-29 02:34:23
@article{706b894c-aac0-4f9a-89f5-caa27d35d137, abstract = {{We calculate the electronic states of the low bandgap polyfluorene-based copolymer DiO-PFDTBT, which consists of alternating 9,9-dioctyl-9H-fluorene and 4,7-di-thiophen-2-ylbenzo[1,2,5]thiadiazole (TBT) units, and compare with the steady-state absorption, emission, and excitation spectrum. Using the semiempirical quantum-chemical (ZINDO) method we can assign the characteristic bands of the "camel-back" absorption spectrum to one charge transfer state at lower energy localized on the TBT unit, and one delocalized excitonic state at higher energy corresponding to the -conjugated electron system. Additional "dark" charge transfer states in the gap between these bands have been revealed. Calculations are also made on the red light emitting polyfluorene-based copolymer poly(fluorene-co-benzothiadiazole) (F8BT), which contains benzo[1,2,5]thiadiazole instead of TBT. The nature of the electronic states in F8BT and DiO-PFDTBT are found to be qualitatively the same. ©2004 American Institute of Physics.}}, author = {{Jespersen, Kim and Beenken, Wichard and Zausjitsyn, Yuri and Yartsev, Arkady and Andersson, Mats and Pullerits, Tönu and Sundström, Villy}}, issn = {{0021-9606}}, language = {{eng}}, number = {{24}}, pages = {{12613--12617}}, publisher = {{American Institute of Physics (AIP)}}, series = {{Journal of Chemical Physics}}, title = {{The electronic states of polyfluorene copolymers with alternating donor-acceptor units}}, url = {{http://dx.doi.org/10.1063/1.1817873}}, doi = {{10.1063/1.1817873}}, volume = {{121}}, year = {{2004}}, }