The solid-state structure of the new compound μ-oxido-bis[dichloridotris(tetrahydrofuran-κO)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.

中文翻译：

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氧桥连双钛(III)配合物的晶体结构和计算研究

新化合物 μ-氧化-双[二氯三(四氢呋喃-κ O )钛(III)], [Ti ₂ Cl ₄ O(C ₄ H ₈ O) ₆ ] 在 150 K 下的固态结构已确定. 该晶体具有单斜 ( C 2/ c ) 对称性，复杂的特征是关于桥接 O 原子的C ₂对称性。位置无序在三种四氢呋喃环境之一中很明显。后 Hartree-Fock 计算分析表明，该复合物具有几乎简并的三重态和单重态自旋态，前者略受ca 2 kJ mol ^{-1 的}青睐。