Spectroscopic properties of photosystem II reaction center revisited

Gelzinis, Andrius; Abramavicius, Darius; Ogilvie, Jennifer P.; Valkunas, Leonas

doi:10.1063/1.4997527

Spectroscopic properties of photosystem II reaction center revisited

Journal Article · Thu Sep 21 00:00:00 EDT 2017 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4997527· OSTI ID:1535337

Gelzinis, Andrius ^[1]; Abramavicius, Darius ^[2]; Ogilvie, Jennifer P. ^[3]; Valkunas, Leonas ^[4]

Vilnius Univ. (Lithuania); Center for Physical Sciences and Technology, Lilnius (Lithuania); DOE/OSTI
Vilnius Univ. (Lithuania)
Univ. of Michigan, Ann Arbor, MI (United States)
Vilnius Univ. (Lithuania); Center for Physical Sciences and Technology, Lilnius (Lithuania)

Photosystem II (PSII) is the only biological system capable of splitting water to molecular oxygen. Its reaction center (RC) is responsible for the primary charge separation that drives the water oxidation reaction. In this work, we revisit the spectroscopic properties of the PSII RC using the complex time-dependent Redfield (ctR) theory for optical lineshapes [A. Gelzinis et al., J. Chem. Phys. 142, 154107 (2015)]. We obtain the PSII RC model parameters (site energies, disorder, and reorganization energies) from the fits of several spectra and then further validate the model by calculating additional independent spectra. We obtain good to excellent agreement between theory and calculations. We find that overall our model is similar to some of the previous asymmetric exciton models of the PSII RC. On the other hand, our model displays differences from previous work based on the modified Redfield theory. We extend the ctR theory to describe the Stark spectrum and use its fit to obtain the parameters of a single charge transfer state included in our model. Our results suggest that Chl$$+\atop{D1}$$Pheo$$-\atop{D1}$$ is most likely the primary charge transfer state, but that the Stark spectrum of the PSII RC is probably also influenced by other states.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Michigan, Ann Arbor, MI (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: SC0016384

OSTI ID:: 1535337

Alternate ID(s):: OSTI ID: 1400004

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 11 Vol. 147; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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