Table 4. Bond Angles and Relative ΔG of Formation in Solution (ΔΔGaq) for the Isomers of Non-Oxido Complexes [VIV(L1–4)2].
|
trans anglesb,c |
||||
|---|---|---|---|---|
| isomera | N1–V–N2 | O1–V–S1 | O2–V–S2 | ΔΔGaqd |
| mer-[VIV(L1)2]a | 153.9 (155.1) | 156.3 (155.6) | 156.3 (155.6) | 0.0 |
| fac-[VIV(L1)2] | 121.4 | 123.1 | 120.6 | 0.7 |
| fac’-[VIV(L1)2] | 118.8 | 124.6 | 124.6 | 1.7 |
| mer-[VIV(L2)2]a | 154.0 (148.0) | 156.4 (148.9) | 156.6 (149.5) | 0.0 |
| fac-[VIV(L2)2] | 122.0 | 123.4 | 120.9 | 0.1 |
| fac’-[VIV(L2)2] | 118.8 | 124.6 | 124.6 | 1.0 |
| mer-[VIV(L3)2] | 161.7 | 164.0 | 164.0 | 0.9 |
| fac-[VIV(L3)2]a | 121.1 (125.2) | 122.0 (125.2) | 119.7 (125.2) | 0.0 |
| fac’-[VIV(L3)2] | 122.9 | 124.8 | 124.8 | 1.8 |
| mer-[VIV(L4)2] | 161.2 | 163.4 | 163.4 | 1.1 |
| fac-[VIV(L4)2]a | 121.2 | 122.0 | 119.8 | 0.0 |
| fac’-[VIV(L4)2] | 161.7 | 124.7 | 124.7 | 2.3 |
a
In bold, the most stable isomers in aqueous solution.
b
Values in degrees.
c
In parentheses, the experimental values extracted from SC-XRD structures.
d
Values in kcal mol–1.