[W(CO)5]2-Bpy | 81178-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [W(CO)5]2-Bpy
• 英文别名: [W(CO)5]2(4,4′-bipyridyl)；(CO)5W(4,4'-bipyridine)W(CO)5；[(CO)5W(4,4'-bpy)W(CO)5]；carbon monoxide;4-pyridin-4-ylpyridine;tungsten
• CAS: 81178-10-1
• 化学式: C₂₀H₈N₂O₁₀W₂
• 分子量: 803.991
• InChiKey: CJDCASVHHOOVLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [W(CO)5]2-Bpy 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 生成 [(OC)5W...CH2Cl2]
  参考文献：
  名称：

  Excited-state properties of [(OC)₅W(L)W(CO)₅][L = 4,4′-bipyridyl (4,4′-bipy) or pyrazine] and [(OC)₅W(4,4′-bipy)]

  摘要：

  Fast time-resolved infrared (TRIR) spectroscopy has been employed to probe the electron distribution in the lowest metal-to-ligand charge-transfer excited states of [(OC)(5)W(4,4'-bipy)W(CO)(5)] 1, [(OC)(5)W(4,4'-bipy)] 2 (4,4'-bipy = 4,4'-bipyridyl) and [(OC)(5)W(pyz)W(CO)(5)] 3 (pyz = pyrazine). The excited State of 1 (i.e. 1*) shows a nu(CO) band pattern, compared with the ground state, in which some nu(CO) bands increase and some decrease in frequency; those which increase match very closely those observed for the excited state of 2, where the increase in frequency is readily assigned to the increase in the effective oxidation state of W on electron transfer to the 4,4'-bipy ligand (schematically W(+)L(-)). The nu(CO) IR bands of the electrochemically reduced 1, i.e. 1(-), are lower in frequency than those of 1, and nearly match the low-frequency bands of 1*. The interpretation is that the excited state of 1 is localised (schematically approximate to W+C-W) on the IR time-scale, and that the degree of-coupling between the: two halves of the excited molecule is very small. Similar conclusions are obtained for the excited state of 3, based on TRIR and spectroelectrochemistry of this complex.

  DOI：

  10.1039/dt9950002711
• 作为产物：
  描述：

  六羰基钨 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 [W(CO)5]2-Bpy
  参考文献：
  名称：

  Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination

  摘要：

  研究了通过与吡啶配位桥接的钨羰基二聚体的合成、结构分析和基本光学性质。

  DOI：

  10.1039/c5dt02726h

文献信息

• Zulu, Mthembeni M.; Lees, Alistair J., Inorganic Chemistry, 1988, vol. 27, # 7, p. 1139 - 1145
  作者：Zulu, Mthembeni M.、Lees, Alistair J.

  DOI：——

  日期：——
• Ligand-bridged dimers of pentacarbonyltungsten. Synthesis and characterization
  作者：P. L. Gaus、J. M. Boncella、K. S. Rosengren、M. O. Funk

  DOI：10.1021/ic00136a008

  日期：1982.6
• The synthesis and characterisation of two mononuclear tungsten pentacarbonyl complexes of 4,4′-bipyridine and 1,2-bis(4-pyridyl)ethane
  作者：Annette Nel、James Chapman、Nicholas Long、Gabriel Kolawole、Majid Motevalli、Paul O'Brien

  DOI：10.1016/s0277-5387(00)00439-3

  日期：2000.7

  The mononuclear tungsten pentacarbonyl complexes with 1,2-bis(4-pyridyl)ethane and 4,4'-bipyridine were synthesised by the irradiation, with a UV source, of solutions of tungsten hexacarbonyl and the relevant N-containing ligand. Both complexes were characterised by single-crystal X-ray diffraction and in both structures, the coordination geometry of the tungsten atom is slightly distorted from octahedral. (C) 2000 Elsevier Science Ltd. All rights reserved.