Table 2 Ionization potential (IP), electron affinity (EA), electronegativity (X), chemical potential (μ), global hardness (ƞ), global softness (σ) and global electrophilicity (ω).
Compounds | X | μ | ƞ | σ | ω | IP | EA | ΔNmax |
|---|---|---|---|---|---|---|---|---|
INDTR | 4.649 | − 4.649 | 1.144 | 0.437 | 9.446 | 5.793 | 3.505 | 4.064 |
INDTD1 | 4.636 | − 4.636 | 1.130 | 0.442 | 9.600 | 5.766 | 3.506 | 4.103 |
INDTD2 | 4.667 | − 4.667 | 1.128 | 0.443 | 9.657 | 5.794 | 3.539 | 4.137 |
INDTD3 | 4.698 | − 4.698 | 1.119 | 0.447 | 9.864 | 5.816 | 3.579 | 4.198 |
INDTD4 | 4.695 | − 4.695 | 1.119 | 0.447 | 9.849 | 5.814 | 3.576 | 4.196 |
INDTD5 | 4.799 | − 4.799 | 1.094 | 0.457 | 10.528 | 5.892 | 3.705 | 4.387 |
INDTD6 | 4.700 | − 4.700 | 1.117 | 0.448 | 9.888 | 5.817 | 3.583 | 4.208 |
INDTD7 | 4.807 | − 4.807 | 1.092 | 0.458 | 10.583 | 5.898 | 3.715 | 4.405 |
INDTD8 | 4.810 | − 4.810 | 1.095 | 0.457 | 10.564 | 5.905 | 3.715 | 4.393 |
