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Abstract The key components of the far-red-light forms of PSI and PSII are chlorophylls d and f which are able to absorb this light contrary to chlorophyll a. The aim… Click to show full abstract
Abstract The key components of the far-red-light forms of PSI and PSII are chlorophylls d and f which are able to absorb this light contrary to chlorophyll a. The aim of this work is to reveal the origin of their absorbance shift. XMCQDTP2/SA-CASSCF with large number of active valence orbitals results were found to be in a good agreement with the experimental data. The modeling of the main peak of Q y band have shown that absorbance shift is mainly due to the difference of vertical excitation energies, while the vibronic structure of this peak is quite similar for all three molecules.
Journal Title: Chemical Physics Letters
Year Published: 2021
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