Ti-complexes

L(Ti-O_α)

L(Ti-O_β)

L(O_α-O_β)

L(O_α-C₁)

L(O_α-C₂)

Ti3-η² (OOH)-TS

1.941 (+0.069)^a

1.977 (−0.217)

1.847 (+0.379)

2.015

2.348

Ti6-η² (OOH)-H₂O-TS

1.940 (+0.041)

2.050 (−0.175)

1.780 (+0.311)

2.191

2.252

Ti6-η² (OOH)-CH₃CN-TS

1.939 (+0.057)

2.015 (−0.211)

1.788 (+0.324)

2.179

2.208