Quantum differencies of ortho/para H2O spin-isomers as a factor of the femtosecond charge separation kinetics modulation in the reaction center of purple bacteriaстатья
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Дата последнего поиска статьи во внешних источниках: 28 мая 2015 г.
Аннотация:We have proposed a mechanism of coherent modulations of the P* state in the transient absorption spectra of the reaction centers isolated from purple bacteria. Two water molecules, located between special pair, Ba, Bb chlorophylls and histidine L175 and M202, are supposed to be the ortho-H2O and para-H2O isomers with different magnetic properties. The distinctive modulation frequencies were labeled as rotational resonances of the ortho-H2O. According to our assumption, the interaction of rotational modes of water isomers with the charge transfer states is a reason of coherent modulations of kinetics. We have modified the system Hamiltonian in order to take into account the rotational modes of ortho-H2O. Evolution of the density matrix was calculated in the Liouville space. The relaxation Redfield theory for molecular aggregates was used to model kinetics up to 3 ps.