The ratios of the fac/mer isomers of [2bFe](TFPB)2 and thermodynamic parameters for the isomerization from mer to fac in various solvents (298 K).
| Solvent | fac/mer | ΔG (kJ mol−1) | ΔHa (kJ mol−1) | TΔSa (kJ mol−1) |
|---|---|---|---|---|
| TCE-d2 | 10 : 90 | 5.5 | — | — |
| CDCl3 | 10 : 90 | 5.5 | −9.2 | −14 |
| o-DCB-d4 | 13 : 87 | 4.8 | — | — |
| Dioxane-d8 | 20 : 80 | 3.4 | — | — |
| DMF-d7 | 32 : 68 | 1.8 | −4.2 | −6.0 |
| THF-d8 | 34 : 66 | 1.7 | −11 | −13 |
| CD2Cl2 | 40 : 60 | 1.1 | — | — |
| CD3CO2D | 53 : 47 | −0.31 | — | — |
| CD3NO2 | 57 : 43 | −0.70 | — | — |
| CD3OD | 64 : 36 | −1.5 | — | — |
| Acetone-d6 | 69 : 31 | −2.0 | −22 | −20 |
| CD3CN | 71 : 29 | −2.2 | −12 | −10 |
a
Determined by van't Hoff analysis of VT NMR measurements.