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Ultrafast carotenoid band shifts: Experiment and theory

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 (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)
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author
organization
publishing date
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
external identifiers
  • wos:000222763000022
  • scopus:3442883070
ISSN
1520-5207
DOI
10.1021/jp040094p
language
English
LU publication?
yes
id
46c559f4-731d-4125-94e7-70a4758df35f (old id 138987)
date added to LUP
2007-07-03 13:12:01
date last changed
2017-08-27 05:40:21
@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},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Ultrafast carotenoid band shifts: Experiment and theory},
  url          = {http://dx.doi.org/10.1021/jp040094p},
  volume       = {108},
  year         = {2004},
}