Carotenoid mediated B800-B850 coupling in LH2

Brent P. Krueger; Gregory D. Scholes; Ian R. Gould; Graham R. Fleming

Carotenoid mediated B800-B850 coupling in LH2

Brent P. Krueger, Gregory D. Scholes, Ian R. Gould, Graham R. Fleming

Research output: Contribution to journal › Article › peer-review

Abstract

Ab initio calculations of the excited state properties of a portion of the LH2 complex consisting of a supermolecule of two B850 bacteriochlorophyll (BChl), one B800 BChl, and one rhodopin glucoside carotenoid show significant mixing between the BChl and carotenoid states. Calculation of the B800-B850 coulombic coupling, through the transition density cube method, both with and without the carotenoid reveal that the carotenoid affects an increase in the B800-B850 coupling via an indirect (superexchange) mechanism. This carotenoid-mediated coupling explains a portion of the difference between the B800-B850 energy transfer rate determined experimentally and through traditional (Förster) calculations.

Original language	English (US)
Article number	8
Pages (from-to)	1DUMMY
Journal	PhysChemComm
Volume	2
State	Published - Jul 20 1999
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry

Cite this

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title = "Carotenoid mediated B800-B850 coupling in LH2",

abstract = "Ab initio calculations of the excited state properties of a portion of the LH2 complex consisting of a supermolecule of two B850 bacteriochlorophyll (BChl), one B800 BChl, and one rhodopin glucoside carotenoid show significant mixing between the BChl and carotenoid states. Calculation of the B800-B850 coulombic coupling, through the transition density cube method, both with and without the carotenoid reveal that the carotenoid affects an increase in the B800-B850 coupling via an indirect (superexchange) mechanism. This carotenoid-mediated coupling explains a portion of the difference between the B800-B850 energy transfer rate determined experimentally and through traditional (F{\"o}rster) calculations.",

author = "Krueger, {Brent P.} and Scholes, {Gregory D.} and Gould, {Ian R.} and Fleming, {Graham R.}",

year = "1999",

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T1 - Carotenoid mediated B800-B850 coupling in LH2

AU - Krueger, Brent P.

AU - Scholes, Gregory D.

AU - Gould, Ian R.

AU - Fleming, Graham R.

PY - 1999/7/20

Y1 - 1999/7/20

N2 - Ab initio calculations of the excited state properties of a portion of the LH2 complex consisting of a supermolecule of two B850 bacteriochlorophyll (BChl), one B800 BChl, and one rhodopin glucoside carotenoid show significant mixing between the BChl and carotenoid states. Calculation of the B800-B850 coulombic coupling, through the transition density cube method, both with and without the carotenoid reveal that the carotenoid affects an increase in the B800-B850 coupling via an indirect (superexchange) mechanism. This carotenoid-mediated coupling explains a portion of the difference between the B800-B850 energy transfer rate determined experimentally and through traditional (Förster) calculations.

AB - Ab initio calculations of the excited state properties of a portion of the LH2 complex consisting of a supermolecule of two B850 bacteriochlorophyll (BChl), one B800 BChl, and one rhodopin glucoside carotenoid show significant mixing between the BChl and carotenoid states. Calculation of the B800-B850 coulombic coupling, through the transition density cube method, both with and without the carotenoid reveal that the carotenoid affects an increase in the B800-B850 coupling via an indirect (superexchange) mechanism. This carotenoid-mediated coupling explains a portion of the difference between the B800-B850 energy transfer rate determined experimentally and through traditional (Förster) calculations.

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ER -

Carotenoid mediated B800-B850 coupling in LH2

Abstract

All Science Journal Classification (ASJC) codes

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