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HOMO –LUMO and global reactivity descriptors of the title compound.
| Parameter | Value |
|---|---|
| EHOMO ELUMO Energy gap (∆E) Ionization potential (I) Electron Affinity (A) Chemical Hardness (η) Global softness (σ) Eletronegativity (X) Chemical potential (μ) Eletrophilicity (ω) |
−6.0504 (eV) −3.2446 (eV) 2.8058 (eV) 6.0504 (eV) 3.2446 (eV) 1.4029 (eV) 0.3564 (eV−1) 4.6475 (eV) −4.6475 (eV) 7.698 (eV) |
