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ABSTRACT:
SUBMITTER: Hasegawa R
PROVIDER: S-EPMC5500672 | biostudies-literature | 2017 Sep
REPOSITORIES: biostudies-literature
Hasegawa Ryo R Saito Keisuke K Takaoka Tomohiro T Ishikita Hiroshi H
Photosynthesis research 20170412 1-3
Quinones can accept two electrons and two protons, and are involved in electron transfer and proton transfer reactions in photosynthetic reaction centers. To date, the pK <sub>a</sub> of these quinones in aqueous solution have not been reported. We calculated the pK <sub>a</sub> of the initial protonation (Q<sup>·-</sup> to QH<sup>·</sup>) and the second protonation (QH<sup>-</sup> to QH<sub>2</sub>) of 1,4-quinones using a quantum chemical approach. The calculated energy differences of the prot ...[more]