Simulations of the two-dimensional electronic spectroscopy of the photosystem II reaction center.

ABSTRACT: We report simulations of the two-dimensional electronic spectroscopy of the Q(y) band of the D1-D2-Cyt b559 photosystem II reaction center at 77 K. We base the simulations on an existing Hamiltonian that was derived by simultaneous fitting to a wide range of linear spectroscopic measurements and described within modified Redfield theory. The model obtains reasonable agreement with most aspects of the two-dimensional spectra, including the overall peak shapes and excited state absorption features. It does not reproduce the rapid equilibration from high energy to low energy excitonic states evident by a strong cross-peak below the diagonal. We explore modifications to the model to incorporate new structural data and improve agreement with the two-dimensional spectra. We find that strengtheni

SUBMITTER: Lewis KL 

PROVIDER: S-EPMC3702820 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature