Table 6 Compositions of some MOs for the Zn(MTB), Cu(MTB), Fe(MTB) and Fe2(MTB) complexes, respectively.
Complex | MO | %Comp | MO | %Comp | ||||
|---|---|---|---|---|---|---|---|---|
Ligand | ZnII | Ligand | ZnII | |||||
Zn(MTB) | Ho-1 | 100 | 0 | L | 100 | 0 | ||
Ho-5 | 99 | 1 | L + 1 | 100 | 0 | |||
Ho-6 | 100 | 0 | L + 3 | 100 | 0 | |||
Ho-7 | 99 | 1 | L + 4 | 99 | 1 | |||
Ho-8 | 100 | 0 | ||||||
Ho-15 | 97 | 3 | ||||||
Complex | MO | %Comp | MO | %Comp | ||||
|---|---|---|---|---|---|---|---|---|
Ligand | CuII | Ligand | CuII | |||||
Cu(MTB) | αHo | 100 | 0 | αL | 100 | 0 | ||
βHo | 100 | 0 | βL + 1 | 99 | 1 | |||
βHo-8 | 100 | 0 | βL | 36 | 64 | |||
αHo-9 | 100 | 0 | αL + 2 | 100 | 0 | |||
βHo-9 | 100 | 0 | αL + 3 | 94 | 6 | |||
αHo-13 | 97 | 3 | βL + 4 | 95 | 5 | |||
βHo-13 | 95 | 5 | αL + 4 | 100 | 0 | |||
βL + 5 | 100 | 0 | ||||||
Complex | MO | %Comp | MO | %Comp | ||||
|---|---|---|---|---|---|---|---|---|
Ligand | FeII | Ligand | FeII | |||||
Fe(MTB) | Ho-1 | 100 | 0 | L | 100 | 0 | ||
Ho-2 | 100 | 0 | L + 2 | 59 | 41 | |||
Ho-7 | 15 | 85 | ||||||
Ho-8 | 18 | 82 | ||||||
Ho-11 | 100 | 0 | ||||||
Ho-12 | 100 | 0 | ||||||
Ho-13 | 100 | 0 | ||||||
Ho-21 | 99 | 1 | ||||||
Ho-23 | 94 | 6 | ||||||
Ho-24 | 97 | 3 | ||||||
Complex | MO | %Comp | MO | %Comp | ||||
|---|---|---|---|---|---|---|---|---|
Ligand | FeII(1) | FeII(2) | Ligand | FeII(1) | FeII(2) | |||
Fe2(MTB) | Ho | 99 | 1 | 0 | L | 100 | 0 | 0 |
Ho-2 | 15 | 0 | 85 | L + 1 | 71 | 29 | 0 | |
Ho-7 | 18 | 82 | 0 | L + 2 | 79 | 21 | 0 | |
Ho-8 | 99 | 0 | 1 | L + 4 | 15 | 0 | 85 | |
Ho-9 | 99 | 1 | 0 | |||||
Ho-10 | 100 | 0 | 0 | |||||
Ho-11 | 99 | 0 | 1 | |||||
Ho-17 | 97 | 0 | 3 | |||||
Ho-18 | 92 | 0 | 8 | |||||
Ho-19 | 100 | 0 | 0 | |||||
Ho-22 | 96 | 0 | 4 | |||||
