Table 2.
band | energy (cm−1) | ε (M−1 cm−1) | f × 103b |
---|---|---|---|
1 | 15200 | 300 | 3.3 |
2 | 17300 | 760 | 8.5 |
3 | 19100 | 1900 | 21 |
4 | 20650 | 1660 | 19 |
5 | 22500 | 2790 | 31 |
6 | 24700 | 2400 | 27 |
7 | 27150 | 3190 | 36 |
8 | 29100 | 4410 | 49 |
9 | 31130 | 5470 | 61 |
10 | 33600 | 7060 | 79 |
Because only LMCT transitions are expected to contribute significantly to the Abs and MCD spectra of LFe(N3)2, the same full-width-at-half-maximum of 2426 cm−1 (which falls within the typical range for this type of transition) was used for all Gaussian bands.
Oscillator strengths, f.