Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex

The solid-state structure of the new compound μ-oxido-bis[dichloridotris(tetrahydrofuran-κ O )titanium(III)], [Ti 2 Cl 4 O(C H 8 O) 6 ], at 150 K has been determined. crystal monoclinic ( C 2/ c ) symmetry and complex features about bridging atom. Positional disorder is evident in one three tetrahydrofuran environments. A post-Hartree–Fock computational analysis indicates that nearly degenerate triplet singlet spin states, with former favoured slightly by ca kJ mol −1 .