fac-Mo(CO)3(PCl3)3 | 108692-12-2

• 英文名称: fac-Mo(CO)3(PCl3)3
• 英文别名: mer-Mo(CO)3[PCl3]3
• CAS: 108692-12-2；19195-96-1；70613-78-4
• 化学式: C₃Cl₉MoO₃P₃
• 分子量: 591.969
• InChiKey: ULXKEKNVMIULQF-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：

  fac-Mo(CO)3(PCl3)3 在 (C₂H₅)3N 、 C₆H₅NH₂ 作用下， 生成
  参考文献：
  名称：

  fac -[（i-PrNH）3 P] 3 Mo（CO）3的合成：独特的三羰基三（三氨基膦基）钼

  摘要：

  Iso-PrNH 2与fac（CO）3 Mo（PCl 3）3反应形成fac -[（i- PrNH）3 P] 3 Mo（CO）3，该复合物包含仲氨基官能团和三氨基膦基）在钼上的取代。

  DOI：

  10.1016/s0022-328x(00)98946-0
• 作为产物：
  描述：

  molybdenum hexacarbonyl 、 三氯化磷 以 正辛烷 为溶剂， 生成 双(三氯膦)钼四羰基 、 fac-Mo(CO)3(PCl3)3 、 carbon monoxide;molybdenum;trichlorophosphane
  参考文献：
  名称：

  95Mo NMR Spectroscopic Evidence for the Weak .pi.-Acceptor Ability of PCl3

  摘要：

  Stepwise-displaced molybdenum carbonyl complexes Mo(CO)(6-n)L(n) (n = 1-3) of chlorosubstituted phosphine ligands PPh(3-m)Cl(m), (m = 0-3) were prepared and studied by Mo-95, P-31, and C-13 NMR spectroscopies. The extremely deshielding influence of the PCl3 ligand (and related ligands) on the transition metal NMR chemical shift and the shielding trend on the P-31 NMR resonance position indicate that this putatively strong pi-acceptor is actually a weaker pi-acceptor than all other phosphorus Ligands employed (except for PBr3). This conclusion is consistent with C-13 NMR and IR spectroscopic results for all the complexes and is also in agreement with the known very weak bond strength of M-PCl3 in Mo and Ni carbonyl complexes as well as a theoretical calculation. The traditionally used infrared parameters for phosphine-substituted metal carbonyls are not suitable for evaluating the sigma- and pi characters of trans phosphorus ligands because both a weaker sigma-donor and a stronger pi-acceptor would lead to a high carbonyl vibrational frequency. The expectation of very short Mo-PCl3 and Mo-PBr3 bond distances (consistent with literature X-ray crystallographic results for a few related transition metal complexes), coupled with the evidence for the low pi-acceptor ability of these phosphorus ligands, leads to an unconventional conclusion: a weak sigma-donor may form a short M-P bond with weak bond strength in the absence of a pi-bonding contribution. It is also concluded that the P-31 NMR chemical shift, or coordination chemical shift Delta delta(P-31), can reflect the electronic and steric variations in Mo-P bonding: both pi- acid sigma-bonding will increase the Delta delta(P-31) by inducing a deshielding effect on the P-31 nucleus, while steric effects decrease the Delta delta(P-31) by inducing a shielding effect.

  DOI：

  10.1021/ic00119a006

文献信息

• Tarassoli, Abbas; Chen, Haw-Jan; Allured, Viloya S., Inorganic Chemistry, 1986, vol. 25, # 19, p. 3541 - 3544
  作者：Tarassoli, Abbas、Chen, Haw-Jan、Allured, Viloya S.、Hill, Tara G.、Haltiwanger, R. Curtis、Thompson, Martin L.、Norman, Arlan D.

  DOI：——

  日期：——