Ph3SnRe(CO)3(bipy') | 122317-08-2

• 英文名称: Ph3SnRe(CO)3(bipy')
• 英文别名: fac-tricarbonyl-2κ3C-(4,4'-dimethyl-2,2'-bipyridine)-2κ2N,N'-triphenyl-1κ3C1-tin(II)-rhenium(I)(Sn-Re)；Ph3SnRe(CO)3(4,4'-dimethyl-2,2'bipyridine)
• CAS: 122317-08-2
• 化学式: C₃₃H₂₇N₂O₃ReSn
• 分子量: 804.506
• InChiKey: WAZHQHCVQOPJHY-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：

  Ph3SnRe(CO)3(bipy') 、 亚硝基叔丁烷 以 四氢呋喃 为溶剂， 生成 (t-Bu)N(O)Re(CO)3(4,4'-dimethyl-2,2'-bipyridine) 、 六苯基二锡
  参考文献：
  名称：

  Andréa, Ronald R.; De Lange, Wim G. J.; Van Der Graaf, Tim, Organometallics, 1988, vol. 7, # 5, p. 1100 - 1106

  摘要：

  DOI：
• 作为产物：
  描述：

  [Re(Br)(CO)3(4,4'-dimethyl-2,2'-bipyridine)] 、 三苯基氯化锡 在 Na/K_2.8 作用下， 以 四氢呋喃 为溶剂， 生成 Ph3SnRe(CO)3(bipy')
  参考文献：
  名称：

  [（C6H5）3EM（CO）3（α-diimine）] [M = Mn，E = Ge，Sn，Pb; M = Re， E = Sn）配合物和[（C6H5）3SnMn（CO）3（t-Bu-DAB）]的x射线结构

  摘要：

  摘要采用重原子法确定了标题化合物的X射线结构，并通过对4598次独立反射的块对角最小二乘法计算，对其进行了精化。晶体是单斜晶体，空间群P 2 1 / c，晶胞尺寸为a = 20.025（1），b = 18.917（1），c = 17.117（1）A，β= 112.120（0）°和Z = 8。该络合物在Mn原子周围具有接近八面体的几何形状。MnSn键长为2.70（1）A，两个MnN键长为2.10（2）A。据报道红外（IR），电子吸收，1 H和119 Sn NMR和共振拉曼（rR）光谱对于络合物[（C 6 H 5）3 EM（CO）3（α-diimine）]（M = Mn，E = Ge，Sn，Pb; M = Re，E = Sn;α-diimine= 1,4 -二氮杂-1,3-丁二烯，吡啶-2-甲醛-亚胺和2,2'-联吡啶）。

  DOI：

  10.1016/s0020-1693(00)90570-x

文献信息

• Properties and dynamics of the σ(M′-Re)π∗ excited state of photoreactive dinuclear LnM′-Re(CO)3(α-diimine) (LnM′ = Ph3Sn, (CO)5Mn, (CO)5Re; α-diimine = bpy′, iPr-PyCa, iPr-DAB) complexes studied by time-resolved emission and absorption spectroscopies
  作者：Brenda D. Rossenaar、Elspeth Lindsay、Derk J. Stufkens、Antonín Vlček

  DOI：10.1016/s0020-1693(96)05203-6

  日期：1996.9

  The photophysics and photochemistry of the metal-metal bonded complexes L(n)M'Re(CO)(3)(alpha-diimine) (L(n)M'=Ph(3)Sn, (CO)(5)Re, (CO)(5)Mn; alpha-diimine = bpy', iPr-PyCa, iPr-DAB) have been studied. According to the time-resolved emission (80 K) and absorption (room temperature) spectra, the lowest excited state has a (3) sigma(M'-Re)pi* character. It is a bound state, which can only be populated by surface crossing from optically excited MLCT states. Homolysis of the metal-metal bond from the sigma pi* state is promoted by nucleophilic and chlorinated solvents. Exceptional in this respect is the complex Ph(3)SnRe(CO)(3)(bpy'), which is nearly photostable in non-chlorinated solvents. The lifetime of the (3) sigma pi* state decreases in the order alpha-diimine = bpy' > iPr-PyCa > iPr-DAB > pAn-DAB. This trend is mainly determined by the energy gap law. The L(n)M' dependence is more complicated because of an additional deactivating effect of an excited state distortion which depends on L(n)M'. At 80 K, the lifetime is determined by the weak coupling to the ground state; at room temperature by dissociation of M'-Re (with the exception of Sn-Re).
• <i>fac</i>-Tricarbonyl(4,4′-dimethyl-2,2′-bipyridine)triphenyltin(II)rhenium(I)
  作者：Dorothy H. Gibson、Mark S. Mashuta、Xiaolong Yin

  DOI：10.1107/s0108270104013836

  日期：2004.8.15

  The title organometallic compound, fac-tricarbonyl-2kappa(3) C-(4,4'-dimethyl-2,2'-bipyridine)-2kappa(2) N,N'-triphenyl-1kappa(3) C-1-tin(II)-rhenium(I)(Sn-Re), [ReSn(C6H5)(3)(C12H12N2)(CO)(3)], contains three unique pi-pi stacking interactions. The result is an infinite chain of uninterrupted alternating intra- and intermolecular offset pi-pi stacking interactions throughout the crystal lattice. This extended pi-pi stacking arrangement, and an additional isolated intramolecular pi-pi interaction between the remaining 4,4'-dimethyl- 2,2'-bipyridine ring and a second phenyl group, impose geometric constraints on the Re and Sn atoms, yielding distorted octahedral and tetrahedral coordinations, respectively, for the metal centers.