Evidence for the purely electronic character of primary electron transfer in purple bacteria Rh. Sphaeroides

A quantum-chemical calculation of the excited electronic states of a Rh. Sphaeroides reaction centre was performed. We discovered a new excited electronic state which can participate in electron transfer (ET). The energy gradient calculations showed that photoexcitation activates only high-frequency...

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Bibliographic Details
Published in:Molecular physics 2015-11, Vol.113 (21), p.3196-3201
Main Authors: Glebov, I.O., Poddubnyy, V.V., Eremin, V.V.
Format: Article
Language:English
Subjects:
Bacteria
Dissipation
dissipative quantum dynamics
Electron states
Electron transfer
Excitation
Mathematical models
photosynthetic reaction centre
Quantum chemistry
Spectra
Spectrum analysis
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Summary:A quantum-chemical calculation of the excited electronic states of a Rh. Sphaeroides reaction centre was performed. We discovered a new excited electronic state which can participate in electron transfer (ET). The energy gradient calculations showed that photoexcitation activates only high-frequency vibrational modes. This contradicts the widely accepted picture of ET resulting from vibrational wave packet motion. An alternative model is suggested where ET has a purely dissipative character and occurs only due to pigment--protein interaction. With this model, we demonstrate that oscillations in the femtosecond spectra can be caused by the new electronic state and non-Markovian character of dissipative dynamics.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976.2015.1013070