Table 2. Chiroptical properties of NFBPy-HC and BiNFBPy-HC.
| CDa | CPLa | S0 → S1 transitionb | S1 → S0 transitionb | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| |gabs|/10−4 | |glum|/10−4 | B CPL/M−1 cm−1 | |µ|/10−17 esu cm | |m|/10−20 erg G−1 | θ/o | |gabs|cal/10−4 | |µ|/10−17 esu cm | |m|/10−20 erg G−1 | θ/o | |glum|cal/10−4 | |
| NFBPy-HC | 2.17 (480) | 3.31 (515) | 3.0 | 0.83 | 1.91 | 87.0 | 4.85 | 0.83 | 1.83 | 87.0 | 4.71 |
| BiNFBPy-HC | 5.00 (483) | 7.37 (543) | 13.2 | 1.15 | 4.85 | 87.0 | 9.04 | 1.08 | 4.45 | 86.7 | 9.32 |
a
Measured in cyclohexane solution.
b
Calculated by TD-DTF at the B3LYP-D3(BJ)/6-31g(d) level for M-enantiomers.