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. Author manuscript; available in PMC: 2015 Feb 4.
Published in final edited form as: Inorg Chem. 2008 Jun 6;47(13):5762–5774. doi: 10.1021/ic800073t

Table 2.

Spectral Parameters from the Iterative Fits of the Abs and MCD Data of LFe(N3)2 (Figure 5)a

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
a

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.

b

Oscillator strengths, f.