(tricyclo[3.3.1.0(3,7)]non-3(7)-ene)bis(triphenylphosphino)platinum | 127997-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (tricyclo[3.3.1.0(3,7)]non-3(7)-ene)bis(triphenylphosphino)platinum
• CAS: 127997-92-6
• 化学式: C₄₅H₄₂P₂Pt
• 分子量: 839.856
• InChiKey: SNQOIJZYFIRPBA-JMUAPCIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.51
• 重原子数：
  48.0
• 可旋转键数：
  8.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  乙烯双(三苯基磷)铂 、 3,7-diiodotricyclo<3.3.1.0^3,7>nonane 在 Na / Hg 作用下， 以 四氢呋喃 为溶剂， 以54%的产率得到(tricyclo[3.3.1.0(3,7)]non-3(7)-ene)bis(triphenylphosphino)platinum
  参考文献：
  名称：

  一系列高度金字塔形链烯的三个成员的（Ph3P）2Pt配合物的合成和研究

  摘要：

  The (Ph(3)P)(2)Pt complexes (3) of three members of a homologous series of tricyclo[3.3.n.0(3,7)]-alk-3(7)-enes (2a-c) have been prepared by allowing these highly pyramidalized alkenes to displace ethylene from (Ph(3)P)(2)PtC2H4. The X-ray crystal structures of 3a-c show that pyramidalization angles at the carbons bonded to platinum increase from an average of phi = 48.3 degrees in 3c to phi = 55.1 degrees in 3b to 62.3 degrees in 3a. In addition, as predicted computationally, the lengths of the bonds between the carbons attached to platinum increase and the C-Pt bond lengths decrease from 3c to 3a. The H-1, C-13, P-31, and Pt-195 NMR spectra of 3a-c provide information about how pyramidalization at these carbons affects the electronic structures of the complexes. The changes in the C-13, P-31, and Pt-195 chemical shifts and also the changes in the C-13-P-31 and P-31-P-31 coupling constants are consistent with the expected increase in back-bonding from the HOMO of (Ph(3)P)(2)Pt into the empty, pi* LUMO of the alkene as pyramidalization increases from 3e to 3a. The increase in the one-bond C-13-Pt-195 coupling constant from 3c to 3a is found to be linearly related to the decrease in the P-31-Pt-195 coupling constant. This finding indicates that, with increasing pyramidalization, donation from the pi HOMO of the alkene into the 6s orbital of platinum also increases but at the expense of donation into platinum 6s from the in-phase combination of phosphine lone pair orbitals.

  DOI：

  10.1021/om00007a055

文献信息

• Trapping of tricyclo[3.3.1.03,7]non-3(7)-ene with (Ph3P)2Pt. Structure of the (Ph3P)2Pt complex of a highly pyramidalized alkene
  作者：Alok Kumar、Joseph D. Lichtenhan、Susan C. Critchlow、B. E. Eichinger、Weston Thatcher Borden

  DOI：10.1021/ja00170a034

  日期：1990.7