Ti-complexes | L(Ti-Oα) | L(Ti-Oβ) | L(Oα-Oβ) | L(Oα-C1) | L(Oα-C2) |
Ti3-η2 (OOH)-TS | 1.921 (+0.049)a | 1.994 (−0.200) | 1.803 (+0.335) | 2.205 | 2.211 |
Ti6-η2 (OOH)-H2O-TS | 1.919 (+0.020) | 2.070 (−0.155) | 1.756 (+0.287) | 2.295 | 2.252 |
Ti6-η2 (OOH)-CH3CN-TS | 1.916 (+0.034) | 2.036 (−0.190) | 1.761 (+0.297) | 2.288 | 2.206 |