Ontology highlight
ABSTRACT:
SUBMITTER: Slama V
PROVIDER: S-EPMC10518868 | biostudies-literature | 2023 Sep
REPOSITORIES: biostudies-literature
Sláma Vladislav V Cupellini Lorenzo L Mascoli Vincenzo V Liguori Nicoletta N Croce Roberta R Mennucci Benedetta B
The journal of physical chemistry letters 20230913 37
The antenna complexes of Photosystem I present low-lying states visible as red-shifted and broadened absorption and fluorescence bands. Among these, Lhca4 has the most evident features of these "red" states, with a fluorescence band shifted by more than 25 nm from typical LHC emission. This signal arises from a mixing of exciton and charge-transfer (CT) states within the excitonically coupled a603-a609 chlorophyll (Chl) dimer. Here we combine molecular dynamics, multiscale quantum chemical calcu ...[more]