Table 2. Calculated dipole moments (μ) and transmissions (T).
| Molecule | Conjugation* | μ (D) | TFermi | Trel |
|---|---|---|---|---|
| OPE3 | Linear | 0.031 | 4.1 | |
| OPE3 1 | Linear | 5.48 | 0.023 | 3.0 |
| OPE3 1 | Cross | 7.11 | ||
| OPE3 2 | Linear | 3.04 | 0.031 | 4.1 |
| OPE3 2 | Cross | 5.23 | ||
| OPE3 3 | Linear | 3.61 | 0.035 | 4.6 |
| OPE3 4 | Inherently cross | 0.0075 | 1 | |
| OPE3 1·H+ | Cross† | 0.0083 | 1.1 |
*The terms linear and cross do not mean that the structures correspond to the border-line resonance forms. Instead, cross means that the structure has more cross-conjugated character than does the linear structure.
†Cross-conjugation is here not promoted by an applied electric field, but by protonation of the aldehyde oxygen.