Abstract
Abstract In the present study, we report the electronic energy transfer (EET) rate and the EET dynamics in the hexamer of C-phycocyanin (C-PC). The EET rate for the Förster theory was calculated by a quantum chemical method and a master equation was used to describe the dynamics. Our calculation results suggest that the natural arrangements of phycocyanobilin (PCB) chromophores α84, β84, and β155 in C-PC are cooperatively well-adjusted to achieve the shortest EET time-length. It is the appropriate regular periodicity of the intermolecular distances and intermolecular angles of the ground and the first excited transition dipole moments of PCBs α84, β84, and β155, i.e., the three-fold symmetry and stacking order of their layers found in terrestrial plants and algae, that are some of the most important requisites in achieving such a highly efficient EET in PBS.
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