| 98119-12-1

• CAS: 98119-12-1
• 化学式: C₂₀H₁₀Fe₂N₄O₈Pt
• 分子量: 741.095
• InChiKey: SMCMZGLMRXXAGT-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：

  、 diphenyl(2-pyridyl)phosphine selenide 以 甲苯 为溶剂， 以25%的产率得到
  参考文献：
  名称：

  Reaction of [Pt{Fe(CO)3(NO)}2(PhCN)2] with diphenyl(2-pyridyl)phosphine selenide. Crystal structure of [(CO)3Fe(μ3-Se){Pt(CO)P(2-C5H4N)Ph2}2] and its theoretical study

  摘要：

  The reaction between the linear trinuclear complex [Pt{Fe(CO)(3)(NO)}(2)(PhCN)(2)] and Ph-2(2-C5H4N)PSe led to the isolation and characterization of the 46-electron cluster [(CO)(3)Fe(mu(3)-Se){Pt(CO)P(2-C5H4N)Ph-2}(2)] (1), whose structure has been determined by X-ray diffraction methods. The cluster typology, which consists of an open triangle Pt-Fe-Pt capped by a mu(3)-Se atom, is rather rare. The chemical bonding in I and in similar systems has been analyzed through density functional theory (DFT) and qualitative MO approaches. A strict analogy with the well understood L2M(mu acetylene) ML2 systems is invoked by considering I as formed by the (CO)(3)FedropSe tetrahedral unit stabilized by sidewise interactions of the triple bond with two d(10)-L2M fragments. Otherwise, the 18-electron (CO)(3)FedropSe monomer is unstable as an isolate molecule. This is confirmed by our DFT calculations that indicate how the well characterized dimer (CO)(3)Fe(mu-Se-2)Fe(CO)(3) lies as much as, approximately, 58 kcal mol(-1) deeper in energy. Finally, by considering an analogy with [L2M(mu-dichalcogen)ML2](0,+2) redox systems (M = Pd, Pt), reduction of 1 to a dianion has been hypothesized and the structure of the latter has been tentatively explored by DFT calculations. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00768-x
• 作为产物：
  描述：

  K{iron(carbonyl)3nitrosyl} 、 trans-bis(benzonitrile)dichloroplatinum(II) 以 四氢呋喃 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  合成和晶体结构的反式-Pt的[Fe（CO）3（NO）] 2（NCPH）2，一个复杂的含有线性金属链

  摘要：

  制备了复杂的反式-Pt [Fe（CO）3（NO）] 2（NCPh）2（1），并通过X射线衍射法确定了其结构。这是结构特征混合三核PtFe络合物的第一个例子，其中存在线性金属链（PtFe2.657（2）Å）。

  DOI：

  10.1016/0022-328x(85)80114-5