(4,5-disulfanyl-1,3-dithiole-2-thionato)bis(η-trimethylsilylcyclopentadienyl)niobium(IV) | 185390-90-3

• 英文名称: (4,5-disulfanyl-1,3-dithiole-2-thionato)bis(η-trimethylsilylcyclopentadienyl)niobium(IV)
• CAS: 185390-90-3
• 化学式: C₁₉H₂₆NbS₅Si₂
• 分子量: 563.823
• InChiKey: WTLAHIMEMZGBEG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (4,5-disulfanyl-1,3-dithiole-2-thionato)bis(η-trimethylsilylcyclopentadienyl)niobium(IV) 、 7,7,8,8-四氰基对苯二醌二甲烷 以 二氯甲烷 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Magnetic properties and fluxional behaviour of heteroleptic cyclopentadienyl–dithiolene d¹and d⁰niobium complexes

  摘要：

  Paramagnetic d(1) niobium complexes of general formula [Nb(eta-C(5)H(4)R)(2)(dithiolene)] [R = SiMe(3) or Bu(t); dithiolene = C3S52- (4,5-disulfanyl-1,3-dithiole-2-thionate), C3OS42- (4,5-disulfanyl-1,3-dithiol-2-onate) or dddt(2-) (5,6-dihydro-1,4-dithiine-2,3-dithiolate)] have been prepared and their redox properties studied. The crystal structure determination of [Nb(eta-C(5)H(4)SiMe(3))(2)(C3S5)] showed that the folding angle of the NbS2C2 plane along the S-S axis is 34(2)degrees, an intermediate value compared with those of analogous d(0) (45-50 degrees) and d(2) (0-10 degrees) complexes, as rationalized by extended-Huckel calculations. The Curie-type temperature dependence of the spin susceptibility of [Nb(cp)(2)(C3S5)], [Nb(cp)(2)(C3OS4)] and [Nb(eta-C(5)H(4)R)(2)(C3S5)] (cp = eta-C5H5) demonstrates that the paramagnetic complexes do not interact with each other in the solid state. Cationic d(0) complexes were obtained either by chemical oxidation (tetracyanoquinodimethane) of the d(1) molecules or from the direct reaction of dddt(2-) with d(0) [Nb(eta-C(5)H(4)R)(2)Cl-2][PF6]. The fluxional behaviour of these d(0) complexes has been investigated by temperature-dependent NMR studies and shown to be comparable with that of isoelectronic d(0) [Ti(cp)(2)(dithiolene)] complexes.

  DOI：

  10.1039/dt9960004093
• 作为产物：
  描述：

  dichlorobis{η-(trimethylsilyl)cyclopentadienyl}niobium(IV) 、 4,5-dimercapto-1,3-dithiole-2-thione, sodium salt 以 二氯甲烷 为溶剂， 以50%的产率得到(4,5-disulfanyl-1,3-dithiole-2-thionato)bis(η-trimethylsilylcyclopentadienyl)niobium(IV)
  参考文献：
  名称：

  Magnetic properties and fluxional behaviour of heteroleptic cyclopentadienyl–dithiolene d¹and d⁰niobium complexes

  摘要：

  Paramagnetic d(1) niobium complexes of general formula [Nb(eta-C(5)H(4)R)(2)(dithiolene)] [R = SiMe(3) or Bu(t); dithiolene = C3S52- (4,5-disulfanyl-1,3-dithiole-2-thionate), C3OS42- (4,5-disulfanyl-1,3-dithiol-2-onate) or dddt(2-) (5,6-dihydro-1,4-dithiine-2,3-dithiolate)] have been prepared and their redox properties studied. The crystal structure determination of [Nb(eta-C(5)H(4)SiMe(3))(2)(C3S5)] showed that the folding angle of the NbS2C2 plane along the S-S axis is 34(2)degrees, an intermediate value compared with those of analogous d(0) (45-50 degrees) and d(2) (0-10 degrees) complexes, as rationalized by extended-Huckel calculations. The Curie-type temperature dependence of the spin susceptibility of [Nb(cp)(2)(C3S5)], [Nb(cp)(2)(C3OS4)] and [Nb(eta-C(5)H(4)R)(2)(C3S5)] (cp = eta-C5H5) demonstrates that the paramagnetic complexes do not interact with each other in the solid state. Cationic d(0) complexes were obtained either by chemical oxidation (tetracyanoquinodimethane) of the d(1) molecules or from the direct reaction of dddt(2-) with d(0) [Nb(eta-C(5)H(4)R)(2)Cl-2][PF6]. The fluxional behaviour of these d(0) complexes has been investigated by temperature-dependent NMR studies and shown to be comparable with that of isoelectronic d(0) [Ti(cp)(2)(dithiolene)] complexes.

  DOI：

  10.1039/dt9960004093