Table 2.
Density functional theory calculation of the MM134, MM136, MM137, and MM139 compounds.
Compound ID | HOMO (eV) | LUMO (eV) | HLG (eV) |
---|---|---|---|
MM134 | −0.238 | −0.224 | −0.014 |
MM136 | −0.239 | −0.208 | −0.030 |
MM137 | −0.243 | −0.220 | −0.022 |
MM139 | −0.250 | −0.201 | −0.049 |