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Gaussian fit energies for MCD spectra.
| transitiona | T1D energy (cm−1) | T1DT3αQ energy (cm−1) | T1DT3βQ energy (cm−1) |
|---|---|---|---|
| 1-xy | (+) 9800 | (+) 9770 | (+) 10160 |
| 2-z2 | (−) 10540 | (−) 10400 | (−) 11063 |
| 3-xz | (+) 11700 | (+) 11210 | (+) 11296 |
| 4-yz | (−) 13940 | (−) 13890 | (−) 13837 |
| 5-His π | (−) 16700 | (−) 16440 | (−) 16200 |
| 6-OH π | (−) 20140 | (−) 20100 | (−) 19940 |
| 7-His π | (−) 24800 | (−) 24870 | (−) 24270 |
| 8-His π | (+) 28270 | (+) 28620 | (+) 28400 |
| 9-His π | (+) 30800 | (+) 30910 | (+) 31000 |
Assigned from reference 30.
