TaCl(CO)2(1,2-bis(diphenylphosphino)ethane)2 | 141280-68-4

• 英文名称: TaCl(CO)2(1,2-bis(diphenylphosphino)ethane)2
• 英文别名: ClTa(CO)2(dppe)2
• CAS: 141280-68-4
• 化学式: C₅₄H₄₈ClO₂P₄Ta
• 分子量: 1069.27
• InChiKey: ZLGRWKLDQPTXSV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 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：

  TaCl(CO)2(1,2-bis(diphenylphosphino)ethane)2 、 一氧化碳 以 甲苯 为溶剂， 生成 tetracarbonyl{1,2-bis(diphenylphosphino)ethane}chlorotantalum
  参考文献：
  名称：

  Three 18-Electron Tantalum(I) Compounds, TaCl(CO)₂(dppe)₂, [TaCl(CO)₂(dppe)₂]_2x, and TaCl(CO)₄(dppe) (dppe = 1,2-Bis(diphenylphosphino)ethane), Which Exhibit Low Levels of Paramagnetism

  摘要：

  Reductive carbonylation of TaCl5 in the presence of 1,2-bis(diphenylphosphino)ethane (dppe) under the appropriate conditions results in the formation of TaCl(CO)(2)(dppe)(2) (1), as the major product, and the possibly cyclic oligomer [TaCl(CO)(2)(dppe)(2)](2x), (2, 2x greater than or equal to 4) as a minor product. Carbonylation of 1 (1 atm) results in the rapid but reversible formation of TaCl(CO)(4)(dppe) (3). Solutions of all three compounds exhibit low levels of paramagnetism, possibly attributable to thermal population of low-lying triplet excited states. Crystal data for the toluene solvate of 1, C68H64ClO2P4Ta: triclinic, P (1) over bar (No. 2), a = 13.937(12) Angstrom, b = 14.811(7) Angstrom, c = 14.929(9) Angstrom, alpha = 102.30(5)degrees, beta = 95.60(7)degrees, gamma = 98.41(5)degrees, Z = 2.

  DOI：

  10.1021/ic960456a
• 作为产物：
  描述：

  tetracarbonyl{1,2-bis(diphenylphosphino)ethane}hydridotantalum 、 四乙基氯化铵 以 四氢呋喃 为溶剂， 以74%的产率得到TaCl(CO)2(1,2-bis(diphenylphosphino)ethane)2
  参考文献：
  名称：

  Aspects of carbonyltantalum chemistry

  摘要：

  UV irradiation of [Et4N][Ta(CO)6] in the presence of 2- to 4-dentate phosphines, p(n), yields [Et4N][Ta(CO)4pn]. Ion exchange chromatography on silica gel affords the hydrido complexes HTa(CO)4p2 or HTa(CO)3pn (n = 3, 4), which can be photochemically converted into HTa(CO)2pn. The structure in solution as judged from spectroscopic data is probably an octahedron capped by the hydride. In the solid state, an X-ray diffraction study of trans-[HTa(CO)2(dppe)2] indicates the presence of a pentagonal bipyramid with H-, Ta and the four P in the pentagonal plane. 2-methyl-2-butene is "hydrotantalated", mainly in the anti-Markovnikov manner, to yield the sigma-alkyl complex Me2CH-H(Me)CTa(CO)4p2 (p2 = Ph2PCH2CH2PEt2). The complexes HTa(CO)4/3pn react with pentafulvenes to form eta-5-(C5H4CHR2)Ta(CO)2pn (R2 = Me2, Ph2, NMe2 + H; p(n) = PhP(CH2CH2 PPh2)2). The hepta-coordinated chloride complexes ClTa(CO)6-npn have been prepared photochemically from [Et4N]Cl and HTa(CO)4pn (n = 4, p(n) = 2 dppe), or by reductive carbonylation of TaCl4 in the presence of p(n) (n = 3, p(n) = MeP(CH2CH2CH2PMe2)2).

  DOI：

  10.1016/0022-328x(92)83042-g