oxidation state | spin state | ΔE (kcal·mol−1) | relative energy | ΔH (kcal·mol−1) | ΔG (kcal·mol−1) |
Cr(I) | doublet | −54.20 | 10.32 | −53.09 | −52.10 |
quartet | −63.81 | 0.71 | −63.21 | −52.14 | |
sextet | −64.52 | 0 | −63.12 | −41.41 | |
Cr(II) | singlet | −69.50 | 127.30 | −195.70 | −183.00 |
triplet | −77.64 | 119.16 | −203.92 | −192.46 | |
quintet | −196.80 | 0 | −195.31 | −183.88 | |
Cr(III) | doublet | −66.12 | 385.79 | −441.73 | −438.22 |
quartet | −451.91 (−451.18)a | 0 | −449.87 | −429.94 | |
Cr(IV) | singlet | 7.60 | 768.69 | −747.68 | −747.66 |
triplet | −761.09 | 0 | −759.22 | −735.66 | |
Cr(V) | doublet | −1173.54 |
| −1172.18 | −1160.34 |
Cr(VI) | singlet | −1721.07 |
| −1720.6 | −1708.52 |