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. 2017 Apr 4;7:612. doi: 10.1038/s41598-017-00574-1

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© The Author(s) 2017

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Proposed amine-assisted synergetic photocatalytic conversion mechanism of CO₂ into CO based on DFT energetics. (a) The reaction paths for photocatalytic conversion of CO₂ into CO; (i) the carbamate formation, (ii) the 1^st photo-excitation, (iii) the 1^st electron transfer from TEA, (iv) the nucleophilic attack of Re to COOH accompanied with the 1^st proton transfer from TEA⁺, (v) the 2^nd photo-excitation, (vi) the 2^nd electron transfer from TEA, (vii) the H₂O formation accompanied with the 2^nd proton transfer from TEA⁺, and (viii) the CO formation. (b) The calculated energies from stage i to stage viii. The results demonstrate that the production of CO upon absorption of two photons in visible light is energetically favorable in the presence of the –NH₂ ligand and the ReTC ligand in the neighboring sites.