An algebraic Kekule structure of a benzenoid hydrocarbon is obtained from an ordinary Kekule structure by inscribing into each hexagon the number of π-electrons which (according to this Kekule structure) belong to this hexagon. We show that in the case of catafusenes, there is a one-to-one correspondence between ordinary and algebraic Kekule structures. On the other hand, in the case of perifusenes, one algebraic Kekule structure may correspond to several ordinary Kekule structures.
A structure-based description of excitation migration in multireaction center light harvesting systems is introduced. The description is an extension of the sojourn expansion, which decomposes excitation migration in terms of repeated detrapping and recapture events. The approach is applied to light harvesting in the trimeric form of cyanobacterial photosystem I (PSI). Excitation is found to be shared between PSI monomers and the chlorophylls providing the strongest respective links are identified. Excitation sharing is investigated by computing cross-monomer excitation trapping probabilities. It is seen that on the average there is a nearly 40% chance of excitation cross transfer and trapping, indicating efficient coupling between monomers. The robustness and optimality of the chlorophyll network of trimeric PSI is examined.
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