Electron-Vibrational Spectra and Dynamics of the Lutein Molecule

The carotenoid molecules such as lutein play an important role in the absorption of light and the following transfer of energy during photosynthesis. However, the study of these processes by the experimental methods only is quite difficult because some of the transitions between the electronic states of carotenoids are optically forbidden and the effect of vibrational states change also must be taken into account. In the present work, electronic-vibrational states of the lutein molecule in the LHCII complex of higher plants and in the diethyl ether solution were described using the ab initio methods. For lutein of LHCII, the electronic energy transfer processes were modeled. The role of the "hot" S₁ states of lutein was shown to be of great importance.