Table 1.
Kβ1,3 energies, Kβ2,5 energies, background-subtracted V2C area of cobalt complexes studied in this work.
| Compounds | Exp. Energy of Kβ1,3 (eV)a |
Exp. Energy of Kβ2,5
(eV)b |
Exp. Area of V2Cc |
DFT-calculated Oscillator Strength (a.u.)d |
|---|---|---|---|---|
| [CoIII(NH3)6]Cl3 (1) | 7649.6 | 7705.7(1) | 12.5(4) | 7.12×10−3 |
| [CoIII(NH3)5Cl]Cl2 (2) | 7649.6 | 7706.1(1) | 12.0(5) | 6.00×10−3 |
| [CoIII(NH3)4(CO3)]NO3 (3) | 7649.6 | 7706.0(1) | 12.3(5) | 6.68×10−3 |
| [CoIII(en)3]Cl3 (4) | 7649.6 | 7706.4(1) | 12.5(10) | 7.14×10−3 |
| [CoIII(acac)3] (5) | 7649.8 | 7707.2(1)/7701.1(1) | 11.2(5) | 6.69×10−3 |
| [CoIII(dmgH)(dmgH2)(Cl)2] (6) | 7649.5 | 7706.5(1)/7701.6(1) | 13.4(10) | 6.81×10−3 |
| [CoIII(dmgH)2(Cl)(py)] (7) | 7649.4 | 7706.3(1)/7701.1(1) | 14.6(4) | 7.54×10−3 |
| [CoIII(dmgH)2(py)2](NO3) (8) | 7649.3 | 7706.5(1)/7701.4(1) | 14.0(9) | 7.29×10−3 |
| [CoIII(dmgH)2(iPr)(py)] (9) | 7649.3 | 7706.2(1)/7700.6(2) | 14.2(11) | 7.22×10−3 |
| [CoIII(dmgH)2(cis-1,2-diClvinyl)(py)] (10) | 7649.3 | 7706.6(1)/7701.2(1) | 13.8(9) | 7.40×10−3 |
a
Estimated error in the K±1,3 energy is ±0.1 eV;
b
The reported values for the Kβ2,5 energies and V2C areas are from the best curve-fitting results (see Table S1 for details). Standard deviations are provided in parentheses.
c
Energy calibrated emission data were normalized to a total spectral intensity of 1000.
d
The calculated oscillator strength in the V2C region encompass the electric dipole, magnetic dipole, and electric quadrupole contributions (see Figure S3 for a correlation plot of calculated oscillator strength with experimental V2C area).