Compound | TE au | Ip eV | Ea eV | Dip. Mom. D |
S-IBF | −656.5408 | 6.6837 | 0.8879 | 2.2182 |
R-IBF | −656.5419 | 6.6766 | 0.9048 | 1.4383 |
2-PPA | −499.3220 | 7.0146 | 0.9633 | 1.9947 |
3-PPA | −499.3209 | 6.8812 | 0.8768 | 1.8931 |
Cu(IBF)2 | −2952.01917046 | 6.53509 | 1.38397 | 1.6296 |
Zn(IBF)2 | −3090.86733452 | 6.494817 | 2.479230 | 1.4591 |