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