Symmetry breakage in the electronic structure of bacterial reaction centers Original Research Article

Extensive quantum calculations of the INDO/S type are performed for the prosthetic groups of the reaction center of Rps. viridis including neighboring residues. The effect of the electrostatic field of the whole reaction center on the location of the charge transfer states relevant for the initial charge separation is evaluated. It is suggested that a readjustment of the acetyl group of the special pair located at PM could play a decisive role as reaction coordinate for the very first charge separation.