{W(CO)5(P(C6H4CH3-o)3)} | 18719-79-4

• 英文名称: {W(CO)5(P(C6H4CH3-o)3)}
• CAS: 18719-79-4
• 化学式: C₂₆H₂₁O₅PW
• 分子量: 628.274
• InChiKey: SOSOVIRMSJOADF-UHFFFAOYSA-N

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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  六羰基钨 、 三(邻甲基苯基)磷 以 四氢呋喃 、 正庚烷 为溶剂， 生成 {W(CO)5(P(C6H4CH3-o)3)}
  参考文献：
  名称：

  Structure and stereodynamics of [M(CO)5{P(C6H4Me-o)3}](M = Cr, Mo or W) and [Cr(CO)3{P(C6H4Me-o)3}]

  摘要：

  The crystal structure of [Cr(CO)5{P(C6H4Me-o)3}] has been determined. It reveals an exo2 conformation for the phosphine ligand, in agreement with molecular mechanics calculations. Barriers to P-C rotation in the series [M(CO)5{P(C6H4Me-o)3}] (M = Cr, Mo or W) are in the range 36-42 kJ mol-1; restricted M-P rotation is also evident in the low-temperature (CO)-C-13 NMR spectrum of [Cr(CO)5{P(CH4Me-o)3}]. The crystal structure of the pi complex [Cr(CO)3{P(C6H4Me-o)}3] is most consistent with an electron-acceptor character for the P(C6H4Me-o)2 substituent. Crystal data: [Cr(CO)5{P(CH4Me-o)3}], monoclinic, space group P2(1)/n, a = 10.774(2), b = 14.951 (5), c = 14.687(7) angstrom, beta = 91.45(2)-degrees, Z = 4, R' = 0.0980 for 209 variable parameters and 2326 observed reflections; [Cr(CO)3{P(C6H4Me-o)3}], monoclinic, space group P2(1)/a, a = 16.725(2), b = 7.340(1), c = 17.675(4), beta = 92.66(2)-degrees, Z = 4, R' = 0.1187 for 263 variable parameters and 1848 observed reflections.

  DOI：

  10.1039/dt9930002775