Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex
Bloomfield, Hannah R.
Hollett, Joshua W.
Ritch, Jamie S.
Bloomfield, H. R., Hollett, J. W., & Ritch, J. S. (2021). Acta Cryst. C77, 391-394.
The solid-state structure of the new compound mu-oxido-bis[dichloridotris(tetrahydrofuran-kappa-O)titanium(III)], [Ti2Cl4O(C4H8O)6], at 150 K has been determined. The crystal has monoclinic (C2/c) symmetry and the complex features C2 symmetry about the bridging O atom. Positional disorder is evident in one of the three tetrahydrofuran environments. A post-Hartree–Fock computational analysis indicates that the complex has nearly degenerate triplet and singlet spin states, with the former favoured slightly by ca 2 kJ mol-1.