Syntheses and Structures of Distibene Complexes of Tungsten and Titanium: [W(CO)5{(2,6-Mes2C6H3)2Sb2}] (Mes = 2,4,6-Me3C6H2) and [Cp2Ti{(2,6-Mes2C6H3)2Sb2)}]

Exposure of [W(CO)5(2,6-Mes2C6H3SbH2)] (1) in toluene to day light leads to the distibene complex [W(CO)5{(2,6-Mes2C6H3)2Sb2}] (2). [Cp2Ti{(2,6-Mes2C6H3)2Sb2}] (3) is obtained by reaction of [Cp2Ti{(Me3Si)2C2}] with 2,6-Mes2C6H3SbH2. The structures of 2 and 3 were determined by single-crystal X-ray diffraction, and DFT calculations were carried out on Me2Sb2, [W(CO)5(Me2Sb2)] (2a), and [Cp2Ti(Me2Sb2)] (3a).将配合物[W(CO)₅(2,6-Mes₂C₆H₃SbH₂)]（编号1，其中Mes为均三甲苯基（mesityl））置于甲苯（toluene）溶剂中，暴露于日光下，可得到二锑烯配合物（distibene complex）[W(CO)₅{(2,6-Mes₂C₆H₃)₂Sb₂}]（编号2）。通过[Cp₂Ti{(Me₃Si)₂C₂}]（其中Cp为环戊二烯基（cyclopentadienyl），Me₃Si为三甲基硅基（trimethylsilyl））与2,6-Mes₂C₆H₃SbH₂反应，可制备得到配合物[Cp₂Ti{(2,6-Mes₂C₆H₃)₂Sb₂}]（编号3）。研究人员采用单晶X射线衍射（single-crystal X-ray diffraction）确定了配合物2与3的晶体结构，并对二甲基二锑烯（Me₂Sb₂）、[W(CO)₅(Me₂Sb₂)]（编号2a）以及[Cp₂Ti(Me₂Sb₂)]（编号3a）开展了密度泛函理论（Density Functional Theory，DFT）计算。