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Everything is connected: DFT calculations show the connection between the highlighted charge-transfer complexes of an oxidized organic photosensitizer (D+) and I−, as well as I2−, and the complete redox process: a two-step one-electron transfer pathway (A), as well as an alternative pathway (B), which involves D+ and I2− directly (see scheme).
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Nyhlén et al. (2010) studied this question.
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