Table 9 Dipole moment (µtotal), polarizability (<α> ), first-order hyperpolarizability (βtotal), second-order hyperpolarizability (γtotal) of the designed compounds (MPBID1-MPBID6).
Compounds | µtotal | <α> | βtotal | γtotal |
|---|---|---|---|---|
MPBIR | 4.9643 | 5.09 × 10− 23 | 1.48 × 10− 29 | 1.15 × 10− 34 |
MPBID1 | 4.9709 | 5.08 × 10− 23 | 1.15 × 10− 29 | 1.13 × 10− 34 |
MPBID2 | 5.1204 | 5.42 × 10− 23 | 1.35 × 10− 29 | 1.40 × 10− 34 |
MPBID3 | 5.0709 | 5.57 × 10− 23 | 1.26 × 10− 29 | 1.51 × 10− 34 |
MPBID4 | 8.1239 | 5.46 × 10− 23 | 11.0 × 10− 29 | 3.08 × 10− 34 |
MPBID5 | 5.6057 | 5.17 × 10− 23 | 3.03 × 10− 29 | 1.03 × 10− 34 |
MPBID6 | 7.3023 | 5.43 × 10− 23 | 5.09 × 10− 29 | 1.60 × 10− 34 |
