Table 1. Band Positions (in Wavenumbers) Derived from Iterative Gaussian Deconvolutions of the RT Abs and 4.5 K MCD Spectra Shown in Figures 1 and 3a.
species | band 1 | band 2 | band 3 | band 4 | band 5 | band width |
---|---|---|---|---|---|---|
N3–-Fe(III)CDO | 16 300 | 20 150 | 22 825 | 26 100 | 30 775 | 3300 |
Cys-Fe(III)CDO | 15 050 | 18 650 | 22 475 | 2650 | ||
(N3–/Cys)-Fe(III)CDO | 14 950 | 19 300 | 22 000 | 2850 |
The values shown are for the 4.5 K MCD spectra, differing very slightly from those obtained for the RT Abs spectra. See the Supporting Information for overlays of the experimental and Gaussian-fit spectra.