Table 9 Quantum chemical parameters of monomers calculated by DFT method
Monomer | EHOMO(ev) | ELUMO(ev) | ∆E(ev) | μ(debye) |
|---|---|---|---|---|
Methyl methacrylate | −0.2920 | −0.0499 | 0.2420 | 2.640 |
Butyl acrylate | −0.2527 | 0.0422 | 0.2950 | 2.003 |
Acrylic acid | −0.2551 | −0.0213 | 0.2764 | 2.209 |