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Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO<sub>2</sub> Reduction
Christina Römelt, Jinshuai Song, Maxime Tarrago, Julian A. Rees, Maurice van Gastel, Thomas Weyhermüller, Serena DeBeer, Eckhard Bill, Frank Neese, Shengfa Ye (2017). Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO<sub>2</sub> Reduction. Inorganic Chemistry, 56(8), pp. 4745-4750, DOI: 10.1021/acs.inorgchem.7b00401.
Article169 days agoElectronic structure analysis of electrochemical CO<sub>2</sub> reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands
Maxime Tarrago, Shengfa Ye, Frank Neese (2022). Electronic structure analysis of electrochemical CO<sub>2</sub> reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands. Chemical Science, 13(34), pp. 10029-10047, DOI: 10.1039/d2sc01863b.
Article169 days agoExperimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin
Maxime Tarrago, Christina Römelt, Joscha Nehrkorn, Alexander Schnegg, Frank Neese, Eckhard Bill, Shengfa Ye (2021). Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin. Inorganic Chemistry, 60(7), pp. 4966-4985, DOI: 10.1021/acs.inorgchem.1c00031.
Article169 days ago