Molecular Orbital Studies on the Primary Donor P960 in Reaction Centers of Rps. viridis
One outstanding question in bacterial photosynthesis research concerns the relevance of the dimeric nature of the primary donor P for the fast electron transfer step from the first excited singlet state 1P*H to the charge separated state P+H−, where H stands for the intermediate acceptor bacteriopheophytin. This problem can only be attacked by performing a detailed study of the electronic structure of the primary donor itself and of the electronic interactions between all involved cofactors in their various active states. This requires the combined effort of high resolution X-ray crystallography, powerful spectroscopic methods and sufficiently advanced quantum-chemical calculations.
KeywordsSpin Density High Occupied Molecular Orbital Lower Unoccupied Molecular Orbital Primary Donor Spin Density Distribution
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