DFT Electron Affinities (kJ mol−1) for models representing the redox components of csiMOF-6.
| Py–Li–F | NDI | F–Li–DPNI–Li–F | |
|---|---|---|---|
| Monomer | −20 | +180 | +310 |
| Dimer | +63 | +226 | +411 |
| ΔEA | +83 | +46 | +101 |
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