Solid-state UV-Vis diffusion reflectance and Tauc/Davis-Mott band-gap fitting.
I2@1 iodine-loaded crystals · Single Crystal
UV-Vis-NIR spectra measured using BaSO4 reflectance reference; absorption spectra calculated by Kubelka-Munk function; 1 and I2@1 compared.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Absorption peak of 1 | peaks at ca. 350 nm | — | — | Text Approximate | p002 / article p.8410 · Main text · Figure S8 |
| Optical band gap of compound 1 | 3.20 eV | — | — | Text Exact Reported | p003 / article p.8411 · Main text · Figure 2c |
| Optical band gap of I2@1Marked as a best value within this paper | 1.70 eV | — | — | Text Exact Reported | p003 / article p.8411 · Main text · Figure 2c |
| I2@1 broad visible absorption | broad absorption over the visible light window | — | — | Qualitative Qualitative | p003 / article p.8411 · Main text · Figure S8 |