(η(5)-C5Me5)2Zr(CO)(η(2)-Te) | 163090-93-5

• 英文名称: (η(5)-C5Me5)2Zr(CO)(η(2)-Te)
• CAS: 163090-93-5
• 化学式: C₂₁H₃₀OTe₂Zr
• 分子量: 644.893
• InChiKey: CMZBSMCQNCOHAU-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  吡啶 、 Cp'2Zr(CO)2 、 (η(5)-C5Me5)2Zr(CO)(η(2)-Te) 以 氘代苯 为溶剂， 生成 {(Te)(pyridine)permethylzirconocene}
  参考文献：
  名称：

  Non-classical carbonyl complexes of zirconium: The syntheses, characterization, and reactivities of (η5-C5Me5)2Zr(η2-E2)(CO) (E  S, Se, Te)

  摘要：

  The non-classical zirconium carbonyl complexes Cp2(*)Zr(eta(2)-E(2))(CO) (E = S, Se, Te) have been prepared by the reactions of Cp(2)*Zr(CO)(2) with the elemental chalcogens (ca. two equivalents) at ca. 80 degrees C. Cp(2)*Zr(eta(2)-E(2))(CO) are characterized by v(CO) stretching frequencies of 2057 cm(-1) (E = S), 2037 cm(-1) (E = Se) and 2006 cm(-1) (E = Te), and the ditellurido derivative Cp(2)*Zr(eta(2)-Te-2)(CO) has been structurally characterized by X-ray diffraction. The dichalcogenido-carbonyl complexes Cp(2)*Zr(eta(2)-E(2))(CO) (E = S, Se, Te) react further with excess chalcogen to give the trichalcogenido complexes Cp(2)*Zr(eta(2)-E(3)), which have also been structurally characterized by X-ray diffraction. The formation of the tritellurido complex Cp(2)*Zr(eta(2)-Te-3) is reversible, and addition of CO (1 atm) regenerates Cp(2)*Zr(eta(2)-Te-2)(CO). In the presence of pyridine, the dichalcogenido derivatives Cp(2)TZr(eta(2)-E(2))(CO) react with Cp(2)*Zr(CO)(2) to give the terminal chalcogenido complexes Cp(2)*Zr(E)(NC5H5). Cp(2)*Zr(eta(2)-Te-2)(CO) exists in both triclinic and tetragonal modifications. Interestingly, the derived Zr-CO bond lengths for the two structures were significantly different, while the C-O bond lengths for each structure were similar. The origin of the discrepancy was determined to be crystallographic disorder in the tetragonal modification, and appropriate modeling allowed the derivation of a reasonable Zr-CO bond length for the tetragonal form.

  DOI：

  10.1016/0277-5387(94)00320-e
• 作为产物：
  描述：

  、 一氧化碳 以 氘代苯 为溶剂， 生成 (η(5)-C5Me5)2Zr(CO)(η(2)-Te)
  参考文献：
  名称：

  Non-classical carbonyl complexes of zirconium: The syntheses, characterization, and reactivities of (η5-C5Me5)2Zr(η2-E2)(CO) (E  S, Se, Te)

  摘要：

  The non-classical zirconium carbonyl complexes Cp2(*)Zr(eta(2)-E(2))(CO) (E = S, Se, Te) have been prepared by the reactions of Cp(2)*Zr(CO)(2) with the elemental chalcogens (ca. two equivalents) at ca. 80 degrees C. Cp(2)*Zr(eta(2)-E(2))(CO) are characterized by v(CO) stretching frequencies of 2057 cm(-1) (E = S), 2037 cm(-1) (E = Se) and 2006 cm(-1) (E = Te), and the ditellurido derivative Cp(2)*Zr(eta(2)-Te-2)(CO) has been structurally characterized by X-ray diffraction. The dichalcogenido-carbonyl complexes Cp(2)*Zr(eta(2)-E(2))(CO) (E = S, Se, Te) react further with excess chalcogen to give the trichalcogenido complexes Cp(2)*Zr(eta(2)-E(3)), which have also been structurally characterized by X-ray diffraction. The formation of the tritellurido complex Cp(2)*Zr(eta(2)-Te-3) is reversible, and addition of CO (1 atm) regenerates Cp(2)*Zr(eta(2)-Te-2)(CO). In the presence of pyridine, the dichalcogenido derivatives Cp(2)TZr(eta(2)-E(2))(CO) react with Cp(2)*Zr(CO)(2) to give the terminal chalcogenido complexes Cp(2)*Zr(E)(NC5H5). Cp(2)*Zr(eta(2)-Te-2)(CO) exists in both triclinic and tetragonal modifications. Interestingly, the derived Zr-CO bond lengths for the two structures were significantly different, while the C-O bond lengths for each structure were similar. The origin of the discrepancy was determined to be crystallographic disorder in the tetragonal modification, and appropriate modeling allowed the derivation of a reasonable Zr-CO bond length for the tetragonal form.

  DOI：

  10.1016/0277-5387(94)00320-e

文献信息

• Terminal chalcogenido complexes of zirconium: Syntheses and reactivity of Cp2*Zr(E)(NC5H5) (E = O, S, Se, Te)
  作者：William A. Howard、Tina M. Trnka、Marcey Waters、Gerard Parkin

  DOI：10.1016/s0022-328x(96)06584-9

  日期：1997.2

  products. For example, reactions of the zirconium oxo complex Cp2*Zr(O)(NC5H5) yield Cp2*Zr(OH)2, Cp2*Zr(η2-O2CMe)(η1-OCOMe), Cp2*Zr(OPh)2, Cp2*Zr(OH)(NH2), Cp2*Zr(OH)(NHPh), Cp2*Zr(OH)[η2-N(Ph)NH2], Cp2*Zr(H)(OSiH2Ph), [Cp2*Zr(H)](μ-O)[Cp2*Zr(OH)], Cp2*Zr(OH)[η1-OC(R)=CH2] (R = Me, Ph, But), Cp2*Zr(OH)I, Cp2*Zr(OMe)I, Cp2*Zr(OSiMe3)Cl, Cp2*Zr[η2-OCH(R)OCH(R)O] (R = H, Pri, But), and Cp2*Zr[η2-OC(Ph)NC(Ph)N]

  终端锆chalcogenido络合的CP 2 * Zr的（E）（NC 5 H ^ 5）（CP * = η 5 -C 5我5 ; E = O，S，硒，碲）由CP的反应方便地合成2 *在吡啶存在下，具有N 2 O或元素硫属元素（S，Se，Te）的Zr（CO）2。这些络合物中的[Zr = E]官能团具有很高的反应活性，并且会经历各种1,2加成和环加成反应，从而产生各种各样的产物。例如，锆氧配合物CP 2 * Zr（O）（NC 5 H5）产率的CP 2 *的Zr（OH）2中，CP 2 *的Zr（η 2 -O 2 CME）（η 1 -OCOMe）中，CP 2 *锆（OPH）2中，CP 2 *的Zr（OH）（NH 2）中，CP 2 *的Zr（OH）（NHPh基）中，CP 2 *的Zr（OH）[ η 2 -N（PH）NH 2 ]中，CP 2 *锆（H）（OSiH 2 PH），混合[CP 2 * Zr的（H）]（μ-