Table 2.
Photophysical parameters for 7a and 7b from semiempirical calculations and solvatochromism analysis.
| Solvent | μ(D)a | μ*(D)a | μ*/μ | ∠μ*μ(°) (Δμ)b | Abs (nm) (obs) | Em (nm) (obs) | Stokes (cm−1) | μ*(D)c (Δμ)d | μ*(D)e | |
|---|---|---|---|---|---|---|---|---|---|---|
| 7a | PhMe | 6.0 | 12.7 | 2.1 | 24 (7.6) | 399 (368) | 483 (452) | 4360 (5050) | 12.4 (8.7) | 10.2 |
| CH3CN | 7.3 | 15.2 | 2.1 | 25 (9.1) | 403 (370) | 516 (489) | 5430 (6580) | 13.1 (8.7) | 11.5 | |
| 7b | PhMe | 4.9 | 10.7 | 2.2 | 70 (10.1) | 422 (426) | 548 (554) | 5450 (5420) | 13.5 (11.8) | 10.2 |
| CH3CN | 6.2 | 12.2 | 2.0 | 69 (11.5) | 418 (419) | 648 (625) | 8490 (7870) | 14.0 (11.8) | 11.5 |
a
From semiempirical calculations.
b
Using δμ= μ2+μ*2 − 2μμ*cos θ.
c
From Eq. 3 using the slopes from the Lippert-Mataga and Mataga plots and the value of μ from semiempirical calculations and an Onsager radius of 5.1Å.
d
From Eq. 1. using the value of μ from semiempirial calculations and an Onsager radius of 5.1Å.
e
From Eq. 4 using the value of μ from semiempirial calculations and an Onsager radius of 5.1Å.