Ultrafast carotenoid band shifts: Experiment and theory
(2004) In The Journal of Physical Chemistry Part B 108(29). p.10398-10403- Abstract
- The ultrafast carotenoid band shift upon excitation of nearby bacteriochlorophyll molecules was studied in three different light harvesting complexes from purple bacteria. The results were analyzed in terms of changes in local electric field of the carotenoids. Time dependent density functional theory calculations based on known and model structures led to good agreement with experimental results, strongly suggesting that the mutual orientation of the pigment molecules rather than the type of the carotenoid molecules determines the extent of the ultrafast band shift. We further estimate that the protein induced local field nearby carotenoid molecule is about 4 or 6 MV/cm, depending on the orientation of the change of the electrical dipole... (More)
- The ultrafast carotenoid band shift upon excitation of nearby bacteriochlorophyll molecules was studied in three different light harvesting complexes from purple bacteria. The results were analyzed in terms of changes in local electric field of the carotenoids. Time dependent density functional theory calculations based on known and model structures led to good agreement with experimental results, strongly suggesting that the mutual orientation of the pigment molecules rather than the type of the carotenoid molecules determines the extent of the ultrafast band shift. We further estimate that the protein induced local field nearby carotenoid molecule is about 4 or 6 MV/cm, depending on the orientation of the change of the electrical dipole in the carotenoid upon optical transition. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/138987
- author
- Herek, Jennifer LU ; Wendling, M ; He, Zhi LU ; Polivka, Tomas LU ; Garcia-Asua, G ; Cogdell, R J ; Hunter, C N ; van Grondelle, R ; Sundström, Villy LU and Pullerits, Tönu LU
- organization
- publishing date
- 2004
- type
- Contribution to journal
- publication status
- published
- subject
- in
- The Journal of Physical Chemistry Part B
- volume
- 108
- issue
- 29
- pages
- 10398 - 10403
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000222763000022
- scopus:3442883070
- ISSN
- 1520-5207
- DOI
- 10.1021/jp040094p
- 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
- 46c559f4-731d-4125-94e7-70a4758df35f (old id 138987)
- date added to LUP
- 2016-04-01 17:12:16
- date last changed
- 2022-01-29 01:06:19
@article{46c559f4-731d-4125-94e7-70a4758df35f, abstract = {{The ultrafast carotenoid band shift upon excitation of nearby bacteriochlorophyll molecules was studied in three different light harvesting complexes from purple bacteria. The results were analyzed in terms of changes in local electric field of the carotenoids. Time dependent density functional theory calculations based on known and model structures led to good agreement with experimental results, strongly suggesting that the mutual orientation of the pigment molecules rather than the type of the carotenoid molecules determines the extent of the ultrafast band shift. We further estimate that the protein induced local field nearby carotenoid molecule is about 4 or 6 MV/cm, depending on the orientation of the change of the electrical dipole in the carotenoid upon optical transition.}}, author = {{Herek, Jennifer and Wendling, M and He, Zhi and Polivka, Tomas and Garcia-Asua, G and Cogdell, R J and Hunter, C N and van Grondelle, R and Sundström, Villy and Pullerits, Tönu}}, issn = {{1520-5207}}, language = {{eng}}, number = {{29}}, pages = {{10398--10403}}, publisher = {{The American Chemical Society (ACS)}}, series = {{The Journal of Physical Chemistry Part B}}, title = {{Ultrafast carotenoid band shifts: Experiment and theory}}, url = {{http://dx.doi.org/10.1021/jp040094p}}, doi = {{10.1021/jp040094p}}, volume = {{108}}, year = {{2004}}, }